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MMsINC code: MMs02648517

Type: Neutral
Formula: C₁₈H₁₆FNO₄

SMILES:

Fc1ccc(cc1)C1N(C(=O)CC1C(O)=O)c1ccc(OC)cc1

InChI:

InChI=1/C18H16FNO4/c1-24-14-8-6-13(7-9-14)20-16(21)10-15(18(22)23)17(20)11-2-4-12(19)5-3-11/h2-9,15,17H,10H2,1H3,(H,22,23)/t15-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.9143 kcal/mol

Physical Properties
Molecular Weight: 329.327 g/mol	logS: -3.37732	SlogP: 3.1086	Reactive groups: 0

Topological Properties
Globularity: 0.106484	Sterimol/B1: 3.26365	Sterimol/B2: 4.24293	Sterimol/B3: 4.7325
Sterimol/B4: 6.66255	Sterimol/L: 15.5247

Surface and Volume Properties
Accessible surface: 532.809	Positive charged surface: 322.02	Negative charged surface: 210.789	Volume: 294.625
Hydrophobic surface: 404.052	Hydrophilic surface: 128.757

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02648518
PUBCHEM-ZINC00269751