MMsINC Database Search


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MMsINC code: MMs01372834

Type: Neutral
Formula: C₁₉H₁₂ClFN₂O₂

SMILES:

Clc1cc(C(=O)c2ccccc2F)c(NC(=O)c2ccncc2)cc1

InChI:

InChI=1/C19H12ClFN2O2/c20-13-5-6-17(23-19(25)12-7-9-22-10-8-12)15(11-13)18(24)14-3-1-2-4-16(14)21/h1-11H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.5811 kcal/mol

Physical Properties
Molecular Weight: 354.768 g/mol	logS: -5.19881	SlogP: 4.3574	Reactive groups: 0

Topological Properties
Globularity: 0.185815	Sterimol/B1: 2.5375	Sterimol/B2: 4.00273	Sterimol/B3: 6.02257
Sterimol/B4: 8.25551	Sterimol/L: 14.5513

Surface and Volume Properties
Accessible surface: 559.957	Positive charged surface: 274.924	Negative charged surface: 285.034	Volume: 309.25
Hydrophobic surface: 490.386	Hydrophilic surface: 69.571

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.