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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.65
Van der Waals volume 548.6
Polar Surface Area 148.44
Van der Waals Surface Area 865.11
Refractivity 148.21

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ELEMENTAL PROPERTIESExact Mass 618.268
Isotope Formula C32H42O12
Dot Disconnected Formula C32H42O12
Dot Disconnected Isotope Formula C32H42O12
Composition C (62.12%), H (6.84%), O (31.03%)
Isotope Composition C (62.12%), H (6.84%), O (31.03%)
Donor Sites 2
Donor Count 2
Acceptor Sites 12
Acceptor Count 10


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TOPOLOGICAL PROPERTIESAtom Count86
Aliphatic Atom Count 44
Aliphatic Bond Count 51
Aromatic Bond Count 0
Asymmetric Atom Count 15
Bond Count 93
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 15
Ring Atom Count 27
Ring Bond Count 34
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 8
Fused Aromatic Ring Count 0
Fused Ring Count 8
Hetero Ring Count 5
Heteroaliphatic Ring Count 5
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 8
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 8

 






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