MMsINC Database Search


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MMsINC code: MMs00589751

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccccc1C(=O)Nc1ccc(OCC)cc1

InChI:

InChI=1/C15H14ClNO2/c1-2-19-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3204 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.46675	SlogP: 3.991	Reactive groups: 0

Topological Properties
Globularity: 0.0152616	Sterimol/B1: 2.63194	Sterimol/B2: 3.04311	Sterimol/B3: 4.39044
Sterimol/B4: 4.77134	Sterimol/L: 17.1303

Surface and Volume Properties
Accessible surface: 510.257	Positive charged surface: 282.139	Negative charged surface: 228.118	Volume: 259.125
Hydrophobic surface: 451.848	Hydrophilic surface: 58.409

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.