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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.39
Van der Waals volume 456.02
Polar Surface Area 97.69
Van der Waals Surface Area 734.31
Refractivity 136.26

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ELEMENTAL PROPERTIESExact Mass 505.21
Isotope Formula C29H31NO7
Dot Disconnected Formula C29H31NO7
Dot Disconnected Isotope Formula C29H31NO7
Composition C (68.9%), H (6.18%), N (2.77%), O (22.15%)
Isotope Composition C (68.9%), H (6.18%), N (2.77%), O (22.15%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count68
Aliphatic Atom Count 19
Aliphatic Bond Count 23
Aromatic Bond Count 18
Asymmetric Atom Count 5
Bond Count 72
Chain Atom Count 13
Chain Bond Count 15
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 4
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 3
Fused Aliphatic Ring Count 2
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 5
Smallest Ring Size 5
Smallest Ring System Size 1

 






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