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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.35
Van der Waals volume 824.82
Polar Surface Area 221.9
Van der Waals Surface Area 1342.17
Refractivity 216.98

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ELEMENTAL PROPERTIESExact Mass 850.508
Isotope Formula C46H74O14
Dot Disconnected Formula C46H74O14
Dot Disconnected Isotope Formula C46H74O14
Composition C (64.92%), H (8.76%), O (26.32%)
Isotope Composition C (64.92%), H (8.76%), O (26.32%)
Donor Sites 7
Donor Count 7
Acceptor Sites 14
Acceptor Count 12


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TOPOLOGICAL PROPERTIESAtom Count134
Aliphatic Atom Count 60
Aliphatic Bond Count 66
Aromatic Bond Count 0
Asymmetric Atom Count 18
Bond Count 140
Chain Atom Count 26
Chain Bond Count 28
Chiral Center Count 18
Ring Atom Count 34
Ring Bond Count 38
Rotatable Bond Count 11
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.