MMsINC Database Search


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MMsINC code: MMs01512285

Type: Neutral
Formula: C₁₆H₁₇ClN₂O₂

SMILES:

Clc1cc(NC(=O)CN(C)c2ccccc2)c(OC)cc1

InChI:

InChI=1/C16H17ClN2O2/c1-19(13-6-4-3-5-7-13)11-16(20)18-14-10-12(17)8-9-15(14)21-2/h3-10H,11H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.023 kcal/mol

Physical Properties
Molecular Weight: 304.777 g/mol	logS: -4.09339	SlogP: 3.4235	Reactive groups: 0

Topological Properties
Globularity: 0.0934975	Sterimol/B1: 2.19904	Sterimol/B2: 2.41883	Sterimol/B3: 5.54683
Sterimol/B4: 8.07951	Sterimol/L: 15.0358

Surface and Volume Properties
Accessible surface: 555.73	Positive charged surface: 344.173	Negative charged surface: 211.558	Volume: 287.625
Hydrophobic surface: 511.839	Hydrophilic surface: 43.891

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.