MMsINC Database Search


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MMsINC code: MMs00623145

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cc(C(=O)NCc2ccc(F)cc2)c(OC)cc1

InChI:

InChI=1/C15H13ClFNO2/c1-20-14-7-4-11(16)8-13(14)15(19)18-9-10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9979 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.37856	SlogP: 3.6841	Reactive groups: 0

Topological Properties
Globularity: 0.0586361	Sterimol/B1: 2.56826	Sterimol/B2: 3.61822	Sterimol/B3: 3.62064
Sterimol/B4: 8.07329	Sterimol/L: 14.9608

Surface and Volume Properties
Accessible surface: 524.069	Positive charged surface: 284.894	Negative charged surface: 239.175	Volume: 261.375
Hydrophobic surface: 478.746	Hydrophilic surface: 45.323

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.