MMsINC Database Search


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MMsINC code: MMs00525265

Type: Neutral
Formula: C₁₅H₁₄ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1c(cc(O)cc1C)C

InChI:

InChI=1/C15H14ClNO2/c1-9-7-13(18)8-10(2)14(9)17-15(19)11-3-5-12(16)6-4-11/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)=78.3484 kcal/mol

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

Topological Properties
Globularity: 0.0925253	Sterimol/B1: 2.09584	Sterimol/B2: 3.59741	Sterimol/B3: 3.66948
Sterimol/B4: 7.11717	Sterimol/L: 16.0343

Surface and Volume Properties
Accessible surface: 496.699	Positive charged surface: 246.187	Negative charged surface: 250.512	Volume: 258.125
Hydrophobic surface: 418.989	Hydrophilic surface: 77.71

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.