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MMsINC code: MMs00967582

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₃

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)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5987 kcal/mol

Physical Properties
Molecular Weight: 374.799 g/mol	logS: -5.07905	SlogP: 4.25417	Reactive groups: 0

Topological Properties
Globularity: 0.196371	Sterimol/B1: 2.53904	Sterimol/B2: 4.4291	Sterimol/B3: 6.5863
Sterimol/B4: 7.84038	Sterimol/L: 14.6914

Surface and Volume Properties
Accessible surface: 594.296	Positive charged surface: 295.813	Negative charged surface: 294.962	Volume: 329.5
Hydrophobic surface: 452.003	Hydrophilic surface: 142.293

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00967583
CHEMDIV-ZINC04920535