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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 8.55
Van der Waals volume 610.38
Polar Surface Area 83.83
Van der Waals Surface Area 969.88
Refractivity 174.55

 Top
ELEMENTAL PROPERTIESExact Mass 602.397
Isotope Formula C39H54O5
Dot Disconnected Formula C39H54O5
Dot Disconnected Isotope Formula C39H54O5
Composition C (77.7%), H (9.03%), O (13.27%)
Isotope Composition C (77.7%), H (9.03%), O (13.27%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


Top
TOPOLOGICAL PROPERTIESAtom Count98
Aliphatic Atom Count 38
Aliphatic Bond Count 43
Aromatic Bond Count 6
Asymmetric Atom Count 9
Bond Count 103
Chain Atom Count 16
Chain Bond Count 17
Chiral Center Count 9
Ring Atom Count 28
Ring Bond Count 32
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 5
Aromatic Ring Count 1
Carbo Ring Count 6
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 6
Smallest Ring System Size 1

 






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