MMsINC Database Search


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MMsINC code: MMs00798032

Type: Neutral
Formula: C₁₅H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(cc(Cl)c1OC)C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C15H12Cl2N2O3/c1-22-13-10(16)6-8(7-11(13)17)15(21)19-12-5-3-2-4-9(12)14(18)20/h2-7H,1H3,(H2,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.0014 kcal/mol

Physical Properties
Molecular Weight: 339.178 g/mol	logS: -5.12595	SlogP: 3.3532	Reactive groups: 0

Topological Properties
Globularity: 0.0231132	Sterimol/B1: 2.36217	Sterimol/B2: 4.09713	Sterimol/B3: 4.40669
Sterimol/B4: 5.3634	Sterimol/L: 16.1092

Surface and Volume Properties
Accessible surface: 534.068	Positive charged surface: 268.385	Negative charged surface: 265.683	Volume: 285.5
Hydrophobic surface: 403.582	Hydrophilic surface: 130.486

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.