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MMsINC code: MMs00958264

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccccc1NC(=O)Cc1c2cc(ccc2n(C)c1C(O)=O)C

InChI:

InChI=1/C19H17FN2O3/c1-11-7-8-16-12(9-11)13(18(19(24)25)22(16)2)10-17(23)21-15-6-4-3-5-14(15)20/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8891 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.49147	SlogP: 3.86439	Reactive groups: 0

Topological Properties
Globularity: 0.117939	Sterimol/B1: 1.969	Sterimol/B2: 3.76104	Sterimol/B3: 4.26196
Sterimol/B4: 10.4835	Sterimol/L: 14.401

Surface and Volume Properties
Accessible surface: 579.038	Positive charged surface: 349.079	Negative charged surface: 226.571	Volume: 315
Hydrophobic surface: 471.913	Hydrophilic surface: 107.125

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

MMs00958265
CHEMDIV-ZINC04821770