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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.7
Van der Waals volume 627.04
Polar Surface Area 183.35
Van der Waals Surface Area 983.06
Refractivity 173.85

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ELEMENTAL PROPERTIESExact Mass 660.351
Isotope Formula C36H52O11
Dot Disconnected Formula C36H52O11
Dot Disconnected Isotope Formula C36H52O11
Composition C (65.43%), H (7.93%), O (26.63%)
Isotope Composition C (65.43%), H (7.93%), O (26.63%)
Donor Sites 5
Donor Count 5
Acceptor Sites 12
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count99
Aliphatic Atom Count 47
Aliphatic Bond Count 50
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 102
Chain Atom Count 32
Chain Bond Count 32
Chiral Center Count 11
Ring Atom Count 15
Ring Bond Count 18
Rotatable Bond Count 16
Stereo Double Bond Count 2
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 3
Smallest Ring System Size 4

 






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