MMsINC Database Search


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MMsINC code: MMs02215850

Type: Neutral
Formula: C₁₄H₁₂ClFN₂O

SMILES:

Clc1cc(NC(=O)Nc2ccccc2F)c(cc1)C

InChI:

InChI=1/C14H12ClFN2O/c1-9-6-7-10(15)8-13(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)=58.786 kcal/mol

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

Topological Properties
Globularity: 0.0425076	Sterimol/B1: 2.10283	Sterimol/B2: 2.49186	Sterimol/B3: 3.71152
Sterimol/B4: 7.81304	Sterimol/L: 14.461

Surface and Volume Properties
Accessible surface: 487.945	Positive charged surface: 238.36	Negative charged surface: 249.585	Volume: 246.375
Hydrophobic surface: 441.479	Hydrophilic surface: 46.466

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.