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MMsINC code: MMs00967583

Type: Ionized
Formula: C₁₉H₁₅ClFN₂O₃-

SMILES:

Clc1cc2c([nH]c(C(=O)[O-])c2CC(=O)N(CC)c2ccc(F)cc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.824 kcal/mol

Physical Properties
Molecular Weight: 373.791 g/mol	logS: -5.3395	SlogP: 2.91947	Reactive groups: 0

Topological Properties
Globularity: 0.171681	Sterimol/B1: 2.56127	Sterimol/B2: 5.02239	Sterimol/B3: 6.47738
Sterimol/B4: 7.63646	Sterimol/L: 15.831

Surface and Volume Properties
Accessible surface: 586.438	Positive charged surface: 269.196	Negative charged surface: 313.4	Volume: 328.5
Hydrophobic surface: 452.883	Hydrophilic surface: 133.555

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:

MMs00967582
CHEMDIV-ZINC04920535