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MMsINC code: MMs00473544

Type: Neutral
Formula: C₁₈H₁₅FN₂O₃

SMILES:

Fc1cc2cc(n(c2cc1)C)C(=O)NC(C(O)=O)c1ccccc1

InChI:

InChI=1/C18H15FN2O3/c1-21-14-8-7-13(19)9-12(14)10-15(21)17(22)20-16(18(23)24)11-5-3-2-4-6-11/h2-10,16H,1H3,(H,20,22)(H,23,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6315 kcal/mol

Physical Properties
Molecular Weight: 326.327 g/mol	logS: -3.92656	SlogP: 3.3278	Reactive groups: 0

Topological Properties
Globularity: 0.065117	Sterimol/B1: 2.09292	Sterimol/B2: 2.6267	Sterimol/B3: 4.96917
Sterimol/B4: 7.20536	Sterimol/L: 16.1327

Surface and Volume Properties
Accessible surface: 555.077	Positive charged surface: 296.071	Negative charged surface: 253.869	Volume: 297.625
Hydrophobic surface: 440.046	Hydrophilic surface: 115.031

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00473545
AURORAFEINCHEMIE-ZINC05301935