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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -3.71
Van der Waals volume 1381.71
Polar Surface Area 561.89
Van der Waals Surface Area 2151.49
Refractivity 138.44

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ELEMENTAL PROPERTIESExact Mass 1528.73
Isotope Formula C71H116O35
Dot Disconnected Formula C71H116O35
Dot Disconnected Isotope Formula C71H116O35
Composition C (55.75%), H (7.64%), O (36.61%)
Isotope Composition C (55.75%), H (7.64%), O (36.61%)
Donor Sites 21
Donor Count 21
Acceptor Sites 35
Acceptor Count 34


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TOPOLOGICAL PROPERTIESAtom Count222
Aliphatic Atom Count 106
Aliphatic Bond Count 117
Aromatic Bond Count 0
Asymmetric Atom Count 43
Bond Count 233
Chain Atom Count 42
Chain Bond Count 49
Chiral Center Count 43
Ring Atom Count 64
Ring Bond Count 68
Rotatable Bond Count 18
Stereo Double Bond Count 0
Aliphatic Ring Count 12
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 7
Heteroaliphatic Ring Count 7
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 12
Smallest Ring Size 6
Smallest Ring System Size 1

 






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