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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.56
Van der Waals volume 454.99
Polar Surface Area 180.05
Van der Waals Surface Area 697.28
Refractivity 131.34

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ELEMENTAL PROPERTIESExact Mass 528.163
Isotope Formula C27H28O11
Dot Disconnected Formula C27H28O11
Dot Disconnected Isotope Formula C27H28O11
Composition C (61.36%), H (5.34%), O (33.3%)
Isotope Composition C (61.36%), H (5.34%), O (33.3%)
Donor Sites 5
Donor Count 5
Acceptor Sites 12
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 69
Chain Atom Count 18
Chain Bond Count 19
Chiral Center Count 6
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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