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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.21
Van der Waals volume 426.37
Polar Surface Area 99.13
Van der Waals Surface Area 666.96
Refractivity 131.61

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ELEMENTAL PROPERTIESExact Mass 474.168
Isotope Formula C28H26O7
Dot Disconnected Formula C28H26O7
Dot Disconnected Isotope Formula C28H26O7
Composition C (70.87%), H (5.52%), O (23.6%)
Isotope Composition C (70.87%), H (5.52%), O (23.6%)
Donor Sites 0
Donor Count 0
Acceptor Sites 9
Acceptor Count 0


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TOPOLOGICAL PROPERTIESAtom Count61
Aliphatic Atom Count 19
Aliphatic Bond Count 21
Aromatic Bond Count 17
Asymmetric Atom Count 0
Bond Count 64
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 0
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 8
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 3
Carbo Ring Count 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 2

 






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