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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.86
Van der Waals volume 349.42
Polar Surface Area 30.93
Van der Waals Surface Area 571.3
Refractivity 108.45

 Top
ELEMENTAL PROPERTIESExact Mass 365.199
Isotope Formula C23H27NO3
Dot Disconnected Formula C23H27NO3
Dot Disconnected Isotope Formula C23H27NO3
Composition C (75.59%), H (7.45%), N (3.83%), O (13.13%)
Isotope Composition C (75.59%), H (7.45%), N (3.83%), O (13.13%)
Donor Sites 0
Donor Count 0
Acceptor Sites 4
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 15
Aliphatic Bond Count 18
Aromatic Bond Count 12
Asymmetric Atom Count 2
Bond Count 57
Chain Atom Count 6
Chain Bond Count 8
Chiral Center Count 2
Ring Atom Count 21
Ring Bond Count 22
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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