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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.09
Van der Waals volume 442.53
Polar Surface Area 144.52
Van der Waals Surface Area 643.76
Refractivity 143.84

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ELEMENTAL PROPERTIESExact Mass 510.131
Isotope Formula C30H22O8
Dot Disconnected Formula C30H22O8
Dot Disconnected Isotope Formula C30H22O8
Composition C (70.58%), H (4.34%), O (25.07%)
Isotope Composition C (70.58%), H (4.34%), O (25.07%)
Donor Sites 5
Donor Count 5
Acceptor Sites 9
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count60
Aliphatic Atom Count 14
Aliphatic Bond Count 17
Aromatic Bond Count 24
Asymmetric Atom Count 0
Bond Count 63
Chain Atom Count 14
Chain Bond Count 17
Chiral Center Count 0
Ring Atom Count 24
Ring Bond Count 24
Rotatable Bond Count 8
Stereo Double Bond Count 2
Aliphatic Ring Count 0
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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