MMsINC Database Search


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MMsINC code: MMs01625165

Type: Neutral
Formula: C₂₀H₁₅ClFNO₂

SMILES:

Clc1ccc(cc1)COc1ccccc1C(=O)Nc1ccccc1F

InChI:

InChI=1/C20H15ClFNO2/c21-15-11-9-14(10-12-15)13-25-19-8-4-1-5-16(19)20(24)23-18-7-3-2-6-17(18)22/h1-12H,13H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.196 kcal/mol

Physical Properties
Molecular Weight: 355.796 g/mol	logS: -6.20242	SlogP: 5.5768	Reactive groups: 0

Topological Properties
Globularity: 0.0676062	Sterimol/B1: 2.46728	Sterimol/B2: 3.41851	Sterimol/B3: 3.86088
Sterimol/B4: 10.9273	Sterimol/L: 15.1014

Surface and Volume Properties
Accessible surface: 612.393	Positive charged surface: 298.315	Negative charged surface: 314.078	Volume: 322.875
Hydrophobic surface: 580.439	Hydrophilic surface: 31.954

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.