MMsINC Database Search


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MMsINC code: MMs01749129

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C19H17ClN2O2/c1-13-17(18(21-24-13)15-10-6-7-11-16(15)20)19(23)22(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1039 kcal/mol

Physical Properties
Molecular Weight: 340.81 g/mol	logS: -5.28213	SlogP: 4.84202	Reactive groups: 0

Topological Properties
Globularity: 0.229164	Sterimol/B1: 3.16143	Sterimol/B2: 4.06671	Sterimol/B3: 4.74006
Sterimol/B4: 6.54516	Sterimol/L: 13.5151

Surface and Volume Properties
Accessible surface: 526.355	Positive charged surface: 283.186	Negative charged surface: 243.169	Volume: 320.625
Hydrophobic surface: 480.052	Hydrophilic surface: 46.303

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.