MMsINC Database Search


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MMsINC code: MMs01623088

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)Cc2ccc(cc2)C)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.1581 kcal/mol

Physical Properties
Molecular Weight: 342.826 g/mol	logS: -4.4169	SlogP: 3.90202	Reactive groups: 0

Topological Properties
Globularity: 0.0686674	Sterimol/B1: 2.35344	Sterimol/B2: 3.76561	Sterimol/B3: 5.7633
Sterimol/B4: 6.25942	Sterimol/L: 18.4885

Surface and Volume Properties
Accessible surface: 608.936	Positive charged surface: 341.991	Negative charged surface: 266.945	Volume: 324.625
Hydrophobic surface: 529.107	Hydrophilic surface: 79.829

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.