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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.14
Van der Waals volume 565.16
Polar Surface Area 80.67
Van der Waals Surface Area 928.53
Refractivity 158.15

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ELEMENTAL PROPERTIESExact Mass 552.381
Isotope Formula C35H52O5
Dot Disconnected Formula C35H52O5
Dot Disconnected Isotope Formula C35H52O5
Composition C (76.05%), H (9.48%), O (14.47%)
Isotope Composition C (76.05%), H (9.48%), O (14.47%)
Donor Sites 1
Donor Count 1
Acceptor Sites 7
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count92
Aliphatic Atom Count 40
Aliphatic Bond Count 44
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 96
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 8
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 4
Stereo Double Bond Count 1
Aliphatic Ring Count 5
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 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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