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

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

 Top
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


Top
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.