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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.04
Van der Waals volume 617.97
Polar Surface Area 104.06
Van der Waals Surface Area 983.17
Refractivity 176.95

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ELEMENTAL PROPERTIESExact Mass 618.392
Isotope Formula C39H54O6
Dot Disconnected Formula C39H54O6
Dot Disconnected Isotope Formula C39H54O6
Composition C (75.69%), H (8.8%), O (15.51%)
Isotope Composition C (75.69%), H (8.8%), O (15.51%)
Donor Sites 3
Donor Count 3
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count99
Aliphatic Atom Count 39
Aliphatic Bond Count 44
Aromatic Bond Count 6
Asymmetric Atom Count 8
Bond Count 104
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 6
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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