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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.75
Van der Waals volume 607.96
Polar Surface Area 158.3
Van der Waals Surface Area 985.38
Refractivity 161.01

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ELEMENTAL PROPERTIESExact Mass 636.387
Isotope Formula C35H56O10
Dot Disconnected Formula C35H56O10
Dot Disconnected Isotope Formula C35H56O10
Composition C (66.01%), H (8.86%), O (25.12%)
Isotope Composition C (66.01%), H (8.86%), O (25.12%)
Donor Sites 6
Donor Count 6
Acceptor Sites 10
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count101
Aliphatic Atom Count 45
Aliphatic Bond Count 52
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 108
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 18
Ring Atom Count 30
Ring Bond Count 36
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 7
Fused Aromatic Ring Count 0
Fused Ring Count 7
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 8
Smallest Ring Size 3
Smallest Ring System Size 1

 






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