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MMsINC code: MMs03070388

Type: Neutral
Formula: C₂₃H₂₄FNO₄

SMILES:

Fc1cc(-c2[nH]c3c(cc(OC4CCCCC4)cc3)c2CC(O)=O)c(OC)cc1

InChI:

InChI=1/C23H24FNO4/c1-28-21-10-7-14(24)11-19(21)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h7-12,15,25H,2-6,13H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3927 kcal/mol

Physical Properties
Molecular Weight: 397.446 g/mol	logS: -5.96771	SlogP: 5.32117	Reactive groups: 0

Topological Properties
Globularity: 0.1201	Sterimol/B1: 2.3169	Sterimol/B2: 3.48451	Sterimol/B3: 7.11287
Sterimol/B4: 7.34669	Sterimol/L: 17.0912

Surface and Volume Properties
Accessible surface: 658.718	Positive charged surface: 439.651	Negative charged surface: 215.772	Volume: 375.125
Hydrophobic surface: 548.392	Hydrophilic surface: 110.326

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03070389
PUBCHEM-ZINC03752672