MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01179018

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O1CCCOc2c1cc(cc2)C(=O)N(Cc1cc2c(nc1)cccc2)C(C)C

InChI:

InChI=1/C23H24N2O3/c1-16(2)25(15-17-12-18-6-3-4-7-20(18)24-14-17)23(26)19-8-9-21-22(13-19)28-11-5-10-27-21/h3-4,6-9,12-14,16H,5,10-11,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=291.365 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.88725	SlogP: 4.7133	Reactive groups: 0

Topological Properties
Globularity: 0.131708	Sterimol/B1: 2.16528	Sterimol/B2: 4.11399	Sterimol/B3: 4.2855
Sterimol/B4: 9.65101	Sterimol/L: 15.4122

Surface and Volume Properties
Accessible surface: 610.506	Positive charged surface: 411.582	Negative charged surface: 194.15	Volume: 362.5
Hydrophobic surface: 504.988	Hydrophilic surface: 105.518

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.