MMsINC Database Search


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MMsINC code: MMs00587389

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1c(cc(O)cc1C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7612 kcal/mol

Physical Properties
Molecular Weight: 275.735 g/mol	logS: -4.04815	SlogP: 3.91474	Reactive groups: 0

Topological Properties
Globularity: 0.101319	Sterimol/B1: 2.08012	Sterimol/B2: 3.62606	Sterimol/B3: 4.71394
Sterimol/B4: 7.08429	Sterimol/L: 14.8322

Surface and Volume Properties
Accessible surface: 497.137	Positive charged surface: 245.649	Negative charged surface: 251.489	Volume: 258
Hydrophobic surface: 419.196	Hydrophilic surface: 77.941

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.