MMsINC Database Search


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MMsINC code: MMs02663621

Type: Neutral
Formula: C₁₄H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(O)c(cc1)C

InChI:

InChI=1/C14H12ClNO2/c1-9-2-7-12(8-13(9)17)16-14(18)10-3-5-11(15)6-4-10/h2-8,17H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9058 kcal/mol

Physical Properties
Molecular Weight: 261.708 g/mol	logS: -3.88768	SlogP: 3.60632	Reactive groups: 0

Topological Properties
Globularity: 0.0193494	Sterimol/B1: 2.27996	Sterimol/B2: 2.93572	Sterimol/B3: 3.92867
Sterimol/B4: 3.96058	Sterimol/L: 16.3877

Surface and Volume Properties
Accessible surface: 485.142	Positive charged surface: 241.362	Negative charged surface: 243.78	Volume: 239.25
Hydrophobic surface: 403.76	Hydrophilic surface: 81.382

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.