MMsINC Database Search


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MMsINC code: MMs01628782

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1ccc(OCC(=O)NCc2ccccc2F)cc1

InChI:

InChI=1/C15H13ClFNO2/c16-12-5-7-13(8-6-12)20-10-15(19)18-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3729 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.405	SlogP: 3.4407	Reactive groups: 0

Topological Properties
Globularity: 0.0436432	Sterimol/B1: 2.42112	Sterimol/B2: 3.80463	Sterimol/B3: 4.38038
Sterimol/B4: 5.05972	Sterimol/L: 17.9071

Surface and Volume Properties
Accessible surface: 539.135	Positive charged surface: 265.969	Negative charged surface: 273.165	Volume: 263.25
Hydrophobic surface: 476.144	Hydrophilic surface: 62.991

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.