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MMsINC code: MMs00915644

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)Cc1c2c(n(C)c1C(O)=O)cccc2

InChI:

InChI=1/C18H14F2N2O3/c1-22-15-5-3-2-4-11(15)12(17(22)18(24)25)9-16(23)21-14-7-6-10(19)8-13(14)20/h2-8H,9H2,1H3,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7275 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.31253	SlogP: 3.69507	Reactive groups: 0

Topological Properties
Globularity: 0.120241	Sterimol/B1: 3.39277	Sterimol/B2: 4.11614	Sterimol/B3: 4.62189
Sterimol/B4: 7.53844	Sterimol/L: 14.59

Surface and Volume Properties
Accessible surface: 557.251	Positive charged surface: 313.817	Negative charged surface: 240.098	Volume: 299.5
Hydrophobic surface: 445.95	Hydrophilic surface: 111.301

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

MMs00915645
CHEMDIV-ZINC03660270