MMsINC Database Search


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MMsINC code: MMs02674164

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1cc(NC(=O)Nc2ccc(F)cc2)c(cc1)C

InChI:

InChI=1/C14H12ClFN2O/c1-9-2-3-10(15)8-13(9)18-14(19)17-12-6-4-11(16)5-7-12/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2973 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.44179	SlogP: 4.43152	Reactive groups: 0

Topological Properties
Globularity: 0.0456526	Sterimol/B1: 2.08637	Sterimol/B2: 2.68523	Sterimol/B3: 3.61742
Sterimol/B4: 7.83244	Sterimol/L: 14.7582

Surface and Volume Properties
Accessible surface: 485.965	Positive charged surface: 235.265	Negative charged surface: 250.701	Volume: 246.25
Hydrophobic surface: 438.148	Hydrophilic surface: 47.817

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.