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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.83
Van der Waals volume 492.94
Polar Surface Area 135.05
Van der Waals Surface Area 797.13
Refractivity 132.15

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ELEMENTAL PROPERTIESExact Mass 534.283
Isotope Formula C29H42O9
Dot Disconnected Formula C29H42O9
Dot Disconnected Isotope Formula C29H42O9
Composition C (65.15%), H (7.92%), O (26.93%)
Isotope Composition C (65.15%), H (7.92%), O (26.93%)
Donor Sites 3
Donor Count 3
Acceptor Sites 10
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 38
Aliphatic Bond Count 44
Aromatic Bond Count 0
Asymmetric Atom Count 16
Bond Count 86
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 16
Ring Atom Count 26
Ring Bond Count 32
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 7
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 7

 






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