NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -1.84
Van der Waals volume 941.83
Polar Surface Area 337.86
Van der Waals Surface Area 1483.42
Refractivity 245.64

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ELEMENTAL PROPERTIESExact Mass 1031.53
Isotope Formula C50H81NO21
Dot Disconnected Formula C50H81NO21
Dot Disconnected Isotope Formula C50H81NO21
Composition C (58.18%), H (7.91%), N (1.36%), O (32.55%)
Isotope Composition C (58.18%), H (7.91%), N (1.36%), O (32.55%)
Donor Sites 13
Donor Count 13
Acceptor Sites 22
Acceptor Count 22


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TOPOLOGICAL PROPERTIESAtom Count153
Aliphatic Atom Count 72
Aliphatic Bond Count 81
Aromatic Bond Count 0
Asymmetric Atom Count 30
Bond Count 162
Chain Atom Count 23
Chain Bond Count 27
Chiral Center Count 30
Ring Atom Count 49
Ring Bond Count 54
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 10
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 10
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.