MMsINC Database Search


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MMsINC code: MMs00610005

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2OC)c(cc1)C

InChI:

InChI=1/C15H14ClNO2/c1-10-7-8-11(16)9-13(10)17-15(18)12-5-3-4-6-14(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)=84.1298 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.30001	SlogP: 3.90932	Reactive groups: 0

Topological Properties
Globularity: 0.025762	Sterimol/B1: 2.23958	Sterimol/B2: 2.8449	Sterimol/B3: 3.5544
Sterimol/B4: 7.84603	Sterimol/L: 13.5707

Surface and Volume Properties
Accessible surface: 501.36	Positive charged surface: 280.131	Negative charged surface: 221.229	Volume: 258.5
Hydrophobic surface: 473.378	Hydrophilic surface: 27.982

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.