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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.23
Van der Waals volume 725.74
Polar Surface Area 195.6
Van der Waals Surface Area 1152.6
Refractivity 70.65

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ELEMENTAL PROPERTIESExact Mass 750.455
Isotope Formula C41H66O12
Dot Disconnected Formula C41H66O12
Dot Disconnected Isotope Formula C41H66O12
Composition C (65.57%), H (8.86%), O (25.57%)
Isotope Composition C (65.57%), H (8.86%), O (25.57%)
Donor Sites 7
Donor Count 7
Acceptor Sites 12
Acceptor Count 11


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TOPOLOGICAL PROPERTIESAtom Count119
Aliphatic Atom Count 53
Aliphatic Bond Count 59
Aromatic Bond Count 0
Asymmetric Atom Count 19
Bond Count 125
Chain Atom Count 20
Chain Bond Count 22
Chiral Center Count 19
Ring Atom Count 33
Ring Bond Count 37
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
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 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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