MMsINC Database Search


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MMsINC code: MMs00831460

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)C1CC(=O)N(C1)c1ccc(cc1)C

InChI:

InChI=1/C19H19ClN2O2/c1-13-6-8-16(9-7-13)22-12-15(10-18(22)23)19(24)21-11-14-4-2-3-5-17(14)20/h2-9,15H,10-12H2,1H3,(H,21,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5899 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.4169	SlogP: 3.58412	Reactive groups: 0

Topological Properties
Globularity: 0.0223225	Sterimol/B1: 2.98242	Sterimol/B2: 3.42268	Sterimol/B3: 3.9033
Sterimol/B4: 4.58771	Sterimol/L: 19.5447

Surface and Volume Properties
Accessible surface: 595.875	Positive charged surface: 330.665	Negative charged surface: 265.21	Volume: 320
Hydrophobic surface: 515.58	Hydrophilic surface: 80.295

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.