MMsINC Database Search


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MMsINC code: MMs00590165

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₂

SMILES:

Clc1ccccc1C(=O)Nc1ccccc1C(=O)N(C)C

InChI:

InChI=1/C16H15ClN2O2/c1-19(2)16(21)12-8-4-6-10-14(12)18-15(20)11-7-3-5-9-13(11)17/h3-10H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.039 kcal/mol

Physical Properties
Molecular Weight: 302.761 g/mol	logS: -4.1293	SlogP: 3.2941	Reactive groups: 0

Topological Properties
Globularity: 0.0307345	Sterimol/B1: 2.10379	Sterimol/B2: 2.65059	Sterimol/B3: 3.51014
Sterimol/B4: 8.86028	Sterimol/L: 14.0002

Surface and Volume Properties
Accessible surface: 520.03	Positive charged surface: 308.985	Negative charged surface: 211.046	Volume: 278.875
Hydrophobic surface: 475.913	Hydrophilic surface: 44.117

Pharmacophoric Properties
Hydrogen bond donors: 1	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.