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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -2.22
Van der Waals volume 1254.72
Polar Surface Area 491.97
Van der Waals Surface Area 1970.11
Refractivity 90.47

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ELEMENTAL PROPERTIESExact Mass 1382.67
Isotope Formula C65H106O31
Dot Disconnected Formula C65H106O31
Dot Disconnected Isotope Formula C65H106O31
Composition C (56.43%), H (7.72%), O (35.85%)
Isotope Composition C (56.43%), H (7.72%), O (35.85%)
Donor Sites 18
Donor Count 18
Acceptor Sites 31
Acceptor Count 30


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TOPOLOGICAL PROPERTIESAtom Count202
Aliphatic Atom Count 96
Aliphatic Bond Count 106
Aromatic Bond Count 0
Asymmetric Atom Count 38
Bond Count 212
Chain Atom Count 38
Chain Bond Count 44
Chiral Center Count 38
Ring Atom Count 58
Ring Bond Count 62
Rotatable Bond Count 16
Stereo Double Bond Count 0
Aliphatic Ring Count 11
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 6
Heteroaliphatic Ring Count 6
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 11
Smallest Ring Size 6
Smallest Ring System Size 1

 






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