MMsINC Database Search


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MMsINC code: MMs03004802

Type: Neutral
Formula: C₁₅H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)C1(O)N(C)C(=O)c2c1cccc2

InChI:

InChI=1/C15H12ClNO2/c1-17-14(18)12-4-2-3-5-13(12)15(17,19)10-6-8-11(16)9-7-10/h2-9,19H,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.469 kcal/mol

Physical Properties
Molecular Weight: 273.719 g/mol	logS: -3.90303	SlogP: 2.9305	Reactive groups: 0

Topological Properties
Globularity: 0.225988	Sterimol/B1: 2.37269	Sterimol/B2: 3.5426	Sterimol/B3: 4.45354
Sterimol/B4: 7.53367	Sterimol/L: 13.0401

Surface and Volume Properties
Accessible surface: 460.13	Positive charged surface: 231.321	Negative charged surface: 228.809	Volume: 247.125
Hydrophobic surface: 389.702	Hydrophilic surface: 70.428

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.