MMsINC Database Search


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

MMsINC code: MMs01325204

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1ccccc1N1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23ClN2O/c25-21-13-7-8-14-22(21)26-15-17-27(18-16-26)24(28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=184.594 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -5.73383	SlogP: 4.8207	Reactive groups: 0

Topological Properties
Globularity: 0.115066	Sterimol/B1: 3.404	Sterimol/B2: 3.91059	Sterimol/B3: 4.48955
Sterimol/B4: 7.02885	Sterimol/L: 17.7411

Surface and Volume Properties
Accessible surface: 637.172	Positive charged surface: 365.985	Negative charged surface: 271.186	Volume: 383.625
Hydrophobic surface: 610.289	Hydrophilic surface: 26.883

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.