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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.51
Van der Waals volume 451.14
Polar Surface Area 139.21
Van der Waals Surface Area 719.47
Refractivity 130.15

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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 2
Donor Count 2
Acceptor Sites 11
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count66
Aliphatic Atom Count 26
Aliphatic Bond Count 30
Aromatic Bond Count 12
Asymmetric Atom Count 4
Bond Count 70
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 4
Ring Atom Count 22
Ring Bond Count 25
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 3
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
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 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 2

 






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