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MMsINC code: MMs03067251

Type: Neutral
Formula: C₁₉H₁₈FNO₃

SMILES:

Fc1cc(-c2[nH]c3c(c2CC(O)=O)c(ccc3C)C)c(OC)cc1

InChI:

InChI=1/C19H18FNO3/c1-10-4-5-11(2)18-17(10)14(9-16(22)23)19(21-18)13-8-12(20)6-7-15(13)24-3/h4-8,21H,9H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7584 kcal/mol

Physical Properties
Molecular Weight: 327.355 g/mol	logS: -5.08058	SlogP: 4.22651	Reactive groups: 0

Topological Properties
Globularity: 0.155742	Sterimol/B1: 2.87164	Sterimol/B2: 3.10664	Sterimol/B3: 5.10488
Sterimol/B4: 7.55564	Sterimol/L: 13.6975

Surface and Volume Properties
Accessible surface: 541.642	Positive charged surface: 325.302	Negative charged surface: 212.528	Volume: 305.375
Hydrophobic surface: 462.914	Hydrophilic surface: 78.728

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

MMs03067252
PUBCHEM-ZINC03742311