MMsINC Database Search


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MMsINC code: MMs01571170

Type: Neutral
Formula: C₂₀H₁₈FNO₄

SMILES:

Fc1ccc(cc1)COc1ccccc1C(OCc1c(noc1C)C)=O

InChI:

InChI=1/C20H18FNO4/c1-13-18(14(2)26-22-13)12-25-20(23)17-5-3-4-6-19(17)24-11-15-7-9-16(21)10-8-15/h3-10H,11-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7403 kcal/mol

Physical Properties
Molecular Weight: 355.365 g/mol	logS: -4.9209	SlogP: 4.89934	Reactive groups: 0

Topological Properties
Globularity: 0.139275	Sterimol/B1: 2.06251	Sterimol/B2: 4.42936	Sterimol/B3: 7.16277
Sterimol/B4: 7.74591	Sterimol/L: 15.788

Surface and Volume Properties
Accessible surface: 629.257	Positive charged surface: 345.806	Negative charged surface: 283.452	Volume: 331.75
Hydrophobic surface: 566.845	Hydrophilic surface: 62.412

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

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Ions/Tautomers related molecules: no related molecules available.