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MMsINC code: MMs03070246

Type: Neutral
Formula: C₁₇H₁₄FNO₂

SMILES:

Fc1ccc(cc1)-c1[nH]c2c(cccc2C)c1CC(O)=O

InChI:

InChI=1/C17H14FNO2/c1-10-3-2-4-13-14(9-15(20)21)17(19-16(10)13)11-5-7-12(18)8-6-11/h2-8,19H,9H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6395 kcal/mol

Physical Properties
Molecular Weight: 283.302 g/mol	logS: -4.55628	SlogP: 3.90949	Reactive groups: 0

Topological Properties
Globularity: 0.0612408	Sterimol/B1: 2.33452	Sterimol/B2: 2.64025	Sterimol/B3: 3.59289
Sterimol/B4: 8.1039	Sterimol/L: 14.0102

Surface and Volume Properties
Accessible surface: 495.938	Positive charged surface: 264.209	Negative charged surface: 227.985	Volume: 265.5
Hydrophobic surface: 400.501	Hydrophilic surface: 95.437

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs03070247
PUBCHEM-ZINC03752483