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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.94
Van der Waals volume 742.7
Polar Surface Area 236.06
Van der Waals Surface Area 1176.54
Refractivity 194.96

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ELEMENTAL PROPERTIESExact Mass 782.445
Isotope Formula C41H66O14
Dot Disconnected Formula C41H66O14
Dot Disconnected Isotope Formula C41H66O14
Composition C (62.89%), H (8.5%), O (28.61%)
Isotope Composition C (62.89%), H (8.5%), O (28.61%)
Donor Sites 9
Donor Count 9
Acceptor Sites 15
Acceptor Count 14


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TOPOLOGICAL PROPERTIESAtom Count121
Aliphatic Atom Count 55
Aliphatic Bond Count 61
Aromatic Bond Count 0
Asymmetric Atom Count 20
Bond Count 127
Chain Atom Count 21
Chain Bond Count 23
Chiral Center Count 20
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 7
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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