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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.86
Van der Waals volume 335.03
Polar Surface Area 110.13
Van der Waals Surface Area 530.83
Refractivity 90.18

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ELEMENTAL PROPERTIESExact Mass 366.168
Isotope Formula C19H26O7
Dot Disconnected Formula C19H26O7
Dot Disconnected Isotope Formula C19H26O7
Composition C (62.28%), H (7.15%), O (30.57%)
Isotope Composition C (62.28%), H (7.15%), O (30.57%)
Donor Sites 2
Donor Count 2
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 28
Aromatic Bond Count 0
Asymmetric Atom Count 7
Bond Count 54
Chain Atom Count 13
Chain Bond Count 13
Chiral Center Count 7
Ring Atom Count 13
Ring Bond Count 15
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 7
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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