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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.75
Van der Waals volume 331.12
Polar Surface Area 124.29
Van der Waals Surface Area 506.9
Refractivity 89.88

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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 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 26
Aliphatic Bond Count 29
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 55
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 11
Ring Atom Count 16
Ring Bond Count 19
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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