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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.21
Van der Waals volume 332.43
Polar Surface Area 155.14
Van der Waals Surface Area 503.14
Refractivity 88.51

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ELEMENTAL PROPERTIESExact Mass 388.137
Isotope Formula C17H24O10
Dot Disconnected Formula C17H24O10
Dot Disconnected Isotope Formula C17H24O10
Composition C (52.57%), H (6.23%), O (41.2%)
Isotope Composition C (52.57%), H (6.23%), O (41.2%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 9


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TOPOLOGICAL PROPERTIESAtom Count51
Aliphatic Atom Count 27
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 53
Chain Atom Count 12
Chain Bond Count 13
Chiral Center Count 8
Ring Atom Count 15
Ring Bond Count 16
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 1
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 1

 






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