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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.04
Van der Waals volume 465.84
Polar Surface Area 88.13
Van der Waals Surface Area 740.64
Refractivity 132.75

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ELEMENTAL PROPERTIESExact Mass 498.262
Isotope Formula C29H38O7
Dot Disconnected Formula C29H38O7
Dot Disconnected Isotope Formula C29H38O7
Composition C (69.86%), H (7.68%), O (22.46%)
Isotope Composition C (69.86%), H (7.68%), O (22.46%)
Donor Sites 0
Donor Count 0
Acceptor Sites 8
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count74
Aliphatic Atom Count 36
Aliphatic Bond Count 41
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 79
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 12
Ring Atom Count 25
Ring Bond Count 29
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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