MMsINC Database Search


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MMsINC code: MMs01581588

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)CC(=O)Nc1ccc(cc1O)C

InChI:

InChI=1/C15H14ClNO2/c1-10-2-7-13(14(18)8-10)17-15(19)9-11-3-5-12(16)6-4-11/h2-8,18H,9H2,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5876 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.2626	SlogP: 3.53519	Reactive groups: 0

Topological Properties
Globularity: 0.0623805	Sterimol/B1: 2.70693	Sterimol/B2: 3.52998	Sterimol/B3: 3.94385
Sterimol/B4: 5.94008	Sterimol/L: 16.1306

Surface and Volume Properties
Accessible surface: 517.277	Positive charged surface: 282.821	Negative charged surface: 234.456	Volume: 256.875
Hydrophobic surface: 436.341	Hydrophilic surface: 80.936

Pharmacophoric Properties
Hydrogen bond donors: 2	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.