MMsINC Database Search


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MMsINC code: MMs00629202

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(NC(=O)c2ccc(cc2)C)cc1OC

InChI:

InChI=1/C15H14ClNO2/c1-10-3-5-11(6-4-10)15(18)17-12-7-8-13(16)14(9-12)19-2/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3885 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.61346	SlogP: 3.90932	Reactive groups: 0

Topological Properties
Globularity: 0.0194957	Sterimol/B1: 2.5604	Sterimol/B2: 2.7378	Sterimol/B3: 3.73651
Sterimol/B4: 5.48993	Sterimol/L: 16.3079

Surface and Volume Properties
Accessible surface: 511.68	Positive charged surface: 286.017	Negative charged surface: 225.663	Volume: 259
Hydrophobic surface: 468.37	Hydrophilic surface: 43.31

Pharmacophoric Properties
Hydrogen bond donors: 1	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.