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MMsINC code: MMs02685247

Type: Neutral
Formula: C₁₇H₁₅FO₄

SMILES:

Fc1cc(ccc1)COc1ccc(cc1OC)\C=C\C(O)=O

InChI:

InChI=1/C17H15FO4/c1-21-16-10-12(6-8-17(19)20)5-7-15(16)22-11-13-3-2-4-14(18)9-13/h2-10H,11H2,1H3,(H,19,20)/b8-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7428 kcal/mol

Physical Properties
Molecular Weight: 302.301 g/mol	logS: -4.02374	SlogP: 3.7775	Reactive groups: 0

Topological Properties
Globularity: 0.0441944	Sterimol/B1: 2.36677	Sterimol/B2: 3.63623	Sterimol/B3: 3.84604
Sterimol/B4: 7.89497	Sterimol/L: 18.0173

Surface and Volume Properties
Accessible surface: 558.312	Positive charged surface: 317.176	Negative charged surface: 241.136	Volume: 279.75
Hydrophobic surface: 438.642	Hydrophilic surface: 119.67

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02685248
PUBCHEM-ZINC00446736