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MMsINC code: MMs01715397

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₃

SMILES:

Clc1cc(F)ccc1NC(=O)COC(=O)CCc1c2c([nH]c1)cccc2

InChI:

InChI=1/C19H16ClFN2O3/c20-15-9-13(21)6-7-17(15)23-18(24)11-26-19(25)8-5-12-10-22-16-4-2-1-3-14(12)16/h1-4,6-7,9-10,22H,5,8,11H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5214 kcal/mol

Physical Properties
Molecular Weight: 374.799 g/mol	logS: -5.0256	SlogP: 4.07487	Reactive groups: 1

Topological Properties
Globularity: 0.0554122	Sterimol/B1: 2.31707	Sterimol/B2: 3.62128	Sterimol/B3: 5.34689
Sterimol/B4: 6.38594	Sterimol/L: 19.6181

Surface and Volume Properties
Accessible surface: 639.719	Positive charged surface: 329.63	Negative charged surface: 305.119	Volume: 328.25
Hydrophobic surface: 511.295	Hydrophilic surface: 128.424

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.