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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.22
Van der Waals volume 429.4
Polar Surface Area 105.45
Van der Waals Surface Area 673.96
Refractivity 128.26

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ELEMENTAL PROPERTIESExact Mass 476.184
Isotope Formula C28H28O7
Dot Disconnected Formula C28H28O7
Dot Disconnected Isotope Formula C28H28O7
Composition C (70.57%), H (5.92%), O (23.5%)
Isotope Composition C (70.57%), H (5.92%), O (23.5%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count63
Aliphatic Atom Count 17
Aliphatic Bond Count 21
Aromatic Bond Count 18
Asymmetric Atom Count 5
Bond Count 67
Chain Atom Count 11
Chain Bond Count 13
Chiral Center Count 5
Ring Atom Count 24
Ring Bond Count 26
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 5
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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