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MMsINC code: MMs03070413

Type: Ionized
Formula: C₂₃H₁₇FNO₄-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6126 kcal/mol

Physical Properties
Molecular Weight: 390.39 g/mol	logS: -6.48935	SlogP: 4.06727	Reactive groups: 0

Topological Properties
Globularity: 0.041704	Sterimol/B1: 3.4676	Sterimol/B2: 3.88178	Sterimol/B3: 4.55778
Sterimol/B4: 5.62445	Sterimol/L: 19.4016

Surface and Volume Properties
Accessible surface: 638.274	Positive charged surface: 359.477	Negative charged surface: 273.667	Volume: 359.375
Hydrophobic surface: 543.586	Hydrophilic surface: 94.688

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs03070412
PUBCHEM-ZINC03752744