MMsINC Database Search


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MMsINC code: MMs00628715

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1ccc(NC(=O)NCc2ccc(F)cc2)cc1

InChI:

InChI=1/C14H12ClFN2O/c15-11-3-7-13(8-4-11)18-14(19)17-9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.459 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.22536	SlogP: 4.0672	Reactive groups: 0

Topological Properties
Globularity: 0.0443244	Sterimol/B1: 2.60379	Sterimol/B2: 2.62969	Sterimol/B3: 4.02754
Sterimol/B4: 4.80541	Sterimol/L: 17.7069

Surface and Volume Properties
Accessible surface: 506.985	Positive charged surface: 249.703	Negative charged surface: 257.282	Volume: 249
Hydrophobic surface: 438.181	Hydrophilic surface: 68.804

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.