MMsINC Database Search


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MMsINC code: MMs02215851

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1ccc(cc1NC(=O)Nc1ccccc1F)C

InChI:

InChI=1/C14H12ClFN2O/c1-9-6-7-10(15)13(8-9)18-14(19)17-12-5-3-2-4-11(12)16/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)=63.5114 kcal/mol

Physical Properties
Molecular Weight: 278.714 g/mol	logS: -4.75524	SlogP: 4.43152	Reactive groups: 0

Topological Properties
Globularity: 0.0458689	Sterimol/B1: 2.06688	Sterimol/B2: 2.52972	Sterimol/B3: 3.76238
Sterimol/B4: 7.78304	Sterimol/L: 14.3827

Surface and Volume Properties
Accessible surface: 493.145	Positive charged surface: 248.838	Negative charged surface: 244.307	Volume: 248.625
Hydrophobic surface: 442.885	Hydrophilic surface: 50.26

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.