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MMsINC code: MMs03070412

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1cc(ccc1OC)-c1[nH]c2c(cc(Oc3ccccc3)cc2)c1CC(O)=O

InChI:

InChI=1/C23H18FNO4/c1-28-21-10-7-14(11-19(21)24)23-18(13-22(26)27)17-12-16(8-9-20(17)25-23)29-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3038 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.2289	SlogP: 5.40197	Reactive groups: 0

Topological Properties
Globularity: 0.0365213	Sterimol/B1: 3.53412	Sterimol/B2: 3.62225	Sterimol/B3: 5.37011
Sterimol/B4: 5.63201	Sterimol/L: 19.8011

Surface and Volume Properties
Accessible surface: 639.693	Positive charged surface: 376.013	Negative charged surface: 260.493	Volume: 358.375
Hydrophobic surface: 532.33	Hydrophilic surface: 107.363

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03070413
PUBCHEM-ZINC03752744