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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.02
Van der Waals volume 739.88
Polar Surface Area 447.09
Van der Waals Surface Area 1095.18
Refractivity 210.98

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ELEMENTAL PROPERTIESExact Mass 956.113
Isotope Formula C41H32O27
Dot Disconnected Formula C41H32O27
Dot Disconnected Isotope Formula C41H32O27
Composition C (51.47%), H (3.37%), O (45.15%)
Isotope Composition C (51.47%), H (3.37%), O (45.15%)
Donor Sites 13
Donor Count 13
Acceptor Sites 28
Acceptor Count 21


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TOPOLOGICAL PROPERTIESAtom Count100
Aliphatic Atom Count 44
Aliphatic Bond Count 50
Aromatic Bond Count 24
Asymmetric Atom Count 8
Bond Count 106
Chain Atom Count 29
Chain Bond Count 32
Chiral Center Count 8
Ring Atom Count 39
Ring Bond Count 42
Rotatable Bond Count 12
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 11
Largest Ring System Size 4
Ring Count 7
Smallest Ring Size 6
Smallest Ring System Size 1

 






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