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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.56
Van der Waals volume 322.99
Polar Surface Area 86.61
Van der Waals Surface Area 534.37
Refractivity 94.81

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ELEMENTAL PROPERTIESExact Mass 362.137
Isotope Formula C19H22O7
Dot Disconnected Formula C19H22O7
Dot Disconnected Isotope Formula C19H22O7
Composition C (62.97%), H (6.12%), O (30.91%)
Isotope Composition C (62.97%), H (6.12%), O (30.91%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 14
Aliphatic Bond Count 16
Aromatic Bond Count 12
Asymmetric Atom Count 1
Bond Count 50
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 1
Ring Atom Count 16
Ring Bond Count 17
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 1

 






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