MMsINC Database Search


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MMsINC code: MMs01310186

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H16ClFN2O2/c1-11(13-7-4-3-5-8-13)22-19(24)16-12(2)25-23-18(16)17-14(20)9-6-10-15(17)21/h3-11H,1-2H3,(H,22,24)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.3361 kcal/mol

Physical Properties
Molecular Weight: 358.8 g/mol	logS: -6.01031	SlogP: 5.02902	Reactive groups: 0

Topological Properties
Globularity: 0.224466	Sterimol/B1: 2.15732	Sterimol/B2: 4.23663	Sterimol/B3: 4.51771
Sterimol/B4: 10.2955	Sterimol/L: 12.4342

Surface and Volume Properties
Accessible surface: 590.983	Positive charged surface: 279.062	Negative charged surface: 311.921	Volume: 324.25
Hydrophobic surface: 532.64	Hydrophilic surface: 58.343

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.