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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.1
Van der Waals volume 864.07
Polar Surface Area 310.28
Van der Waals Surface Area 1363.88
Refractivity 223.43

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ELEMENTAL PROPERTIESExact Mass 944.462
Isotope Formula C46H72O20
Dot Disconnected Formula C46H72O20
Dot Disconnected Isotope Formula C46H72O20
Composition C (58.46%), H (7.68%), O (33.86%)
Isotope Composition C (58.46%), H (7.68%), O (33.86%)
Donor Sites 10
Donor Count 10
Acceptor Sites 21
Acceptor Count 19


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TOPOLOGICAL PROPERTIESAtom Count138
Aliphatic Atom Count 66
Aliphatic Bond Count 73
Aromatic Bond Count 0
Asymmetric Atom Count 24
Bond Count 145
Chain Atom Count 26
Chain Bond Count 29
Chiral Center Count 24
Ring Atom Count 40
Ring Bond Count 44
Rotatable Bond Count 9
Stereo Double Bond Count 0
Aliphatic Ring Count 8
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 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 8
Smallest Ring Size 6
Smallest Ring System Size 1

 






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