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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.02
Van der Waals volume 337.47
Polar Surface Area 113.29
Van der Waals Surface Area 521.98
Refractivity 92.96

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ELEMENTAL PROPERTIESExact Mass 378.168
Isotope Formula C20H26O7
Dot Disconnected Formula C20H26O7
Dot Disconnected Isotope Formula C20H26O7
Composition C (63.48%), H (6.93%), O (29.6%)
Isotope Composition C (63.48%), H (6.93%), O (29.6%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count53
Aliphatic Atom Count 27
Aliphatic Bond Count 31
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 57
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 10
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
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 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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