MMsINC Database Search


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MMsINC code: MMs02366678

Type: Neutral
Formula: C₁₃H₁₁ClN₂O₂

SMILES:

Clc1cc(NC(=O)Nc2ccccc2)c(O)cc1

InChI:

InChI=1/C13H11ClN2O2/c14-9-6-7-12(17)11(8-9)16-13(18)15-10-4-2-1-3-5-10/h1-8,17H,(H2,15,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.9023 kcal/mol

Physical Properties
Molecular Weight: 262.696 g/mol	logS: -3.62439	SlogP: 3.6896	Reactive groups: 0

Topological Properties
Globularity: 0.0469448	Sterimol/B1: 2.88304	Sterimol/B2: 3.42492	Sterimol/B3: 4.61139
Sterimol/B4: 4.82176	Sterimol/L: 14.4053

Surface and Volume Properties
Accessible surface: 477.509	Positive charged surface: 244.336	Negative charged surface: 233.173	Volume: 233.625
Hydrophobic surface: 376.631	Hydrophilic surface: 100.878

Pharmacophoric Properties
Hydrogen bond donors: 3	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.