MMsINC Database Search


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MMsINC code: MMs02675446

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1ccccc1CNC(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C14H12ClFN2O/c15-13-7-2-1-4-10(13)9-17-14(19)18-12-6-3-5-11(16)8-12/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)=28.274 kcal/mol

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

Topological Properties
Globularity: 0.0552134	Sterimol/B1: 2.73291	Sterimol/B2: 2.7902	Sterimol/B3: 4.59102
Sterimol/B4: 5.0169	Sterimol/L: 16.235

Surface and Volume Properties
Accessible surface: 503.759	Positive charged surface: 247.064	Negative charged surface: 256.696	Volume: 248.375
Hydrophobic surface: 437.845	Hydrophilic surface: 65.914

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.