MMsINC Database Search


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MMsINC code: MMs00061327

Type: Neutral
Formula: C₂₁H₁₇ClN₂O

SMILES:

Clc1cc2N(Cc3ccccc3)C(=O)N(c2cc1)Cc1ccccc1

InChI:

InChI=1/C21H17ClN2O/c22-18-11-12-19-20(13-18)24(15-17-9-5-2-6-10-17)21(25)23(19)14-16-7-3-1-4-8-16/h1-13H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2231 kcal/mol

Physical Properties
Molecular Weight: 348.833 g/mol	logS: -5.66466	SlogP: 6.0196	Reactive groups: 0

Topological Properties
Globularity: 0.087832	Sterimol/B1: 2.92907	Sterimol/B2: 3.56235	Sterimol/B3: 4.66104
Sterimol/B4: 8.18503	Sterimol/L: 15.7377

Surface and Volume Properties
Accessible surface: 583.191	Positive charged surface: 297.442	Negative charged surface: 285.749	Volume: 335
Hydrophobic surface: 541.989	Hydrophilic surface: 41.202

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.