MMsINC Database Search


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MMsINC code: MMs03906813

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1cccc(NC(=O)C(Oc2ccccc2F)C)c1C

InChI:

InChI=1/C16H15ClFNO2/c1-10-12(17)6-5-8-14(10)19-16(20)11(2)21-15-9-4-3-7-13(15)18/h3-9,11H,1-2H3,(H,19,20)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0455 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -4.94864	SlogP: 4.19352	Reactive groups: 0

Topological Properties
Globularity: 0.0409451	Sterimol/B1: 1.969	Sterimol/B2: 3.2532	Sterimol/B3: 3.51999
Sterimol/B4: 6.77651	Sterimol/L: 16.8932

Surface and Volume Properties
Accessible surface: 529.802	Positive charged surface: 256.357	Negative charged surface: 273.445	Volume: 280.125
Hydrophobic surface: 472.128	Hydrophilic surface: 57.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.