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MMsINC code: MMs00958257

Type: Ionized
Formula: C₁₉H₁₅ClFN₂O₃-

SMILES:

Clc1cc(NC(=O)Cc2c3cc(ccc3n(C)c2C(=O)[O-])C)ccc1F

InChI:

InChI=1/C19H16ClFN2O3/c1-10-3-6-16-12(7-10)13(18(19(25)26)23(16)2)9-17(24)22-11-4-5-15(21)14(20)8-11/h3-8H,9H2,1-2H3,(H,22,24)(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.746 kcal/mol

Physical Properties
Molecular Weight: 373.791 g/mol	logS: -5.48621	SlogP: 3.18309	Reactive groups: 0

Topological Properties
Globularity: 0.0937018	Sterimol/B1: 2.06014	Sterimol/B2: 2.90639	Sterimol/B3: 4.54715
Sterimol/B4: 8.56272	Sterimol/L: 15.6316

Surface and Volume Properties
Accessible surface: 587.09	Positive charged surface: 291.163	Negative charged surface: 291.176	Volume: 326.125
Hydrophobic surface: 497.305	Hydrophilic surface: 89.785

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00958256
CHEMDIV-ZINC04821737