MMsINC Database Search


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MMsINC code: MMs01126541

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₂

SMILES:

Clc1cc(NC(=O)N(Cc2ccccc2)Cc2occc2)ccc1F

InChI:

InChI=1/C19H16ClFN2O2/c20-17-11-15(8-9-18(17)21)22-19(24)23(13-16-7-4-10-25-16)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.1485 kcal/mol

Physical Properties
Molecular Weight: 358.8 g/mol	logS: -5.63884	SlogP: 5.8392	Reactive groups: 0

Topological Properties
Globularity: 0.134543	Sterimol/B1: 2.92856	Sterimol/B2: 3.44019	Sterimol/B3: 5.26261
Sterimol/B4: 9.79027	Sterimol/L: 14.6139

Surface and Volume Properties
Accessible surface: 594.063	Positive charged surface: 277.954	Negative charged surface: 316.109	Volume: 326.875
Hydrophobic surface: 554.576	Hydrophilic surface: 39.487

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.