MMsINC Database Search


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MMsINC code: MMs02109026

Type: Neutral
Formula: C₂₁H₁₇FO₃

SMILES:

Fc1cc(ccc1OC(=O)C)-c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C21H17FO3/c1-15(23)25-21-12-9-18(13-20(21)22)17-7-10-19(11-8-17)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.377 kcal/mol

Physical Properties
Molecular Weight: 336.362 g/mol	logS: -6.27804	SlogP: 5.2634	Reactive groups: 0

Topological Properties
Globularity: 0.0277118	Sterimol/B1: 3.25301	Sterimol/B2: 3.32575	Sterimol/B3: 4.06621
Sterimol/B4: 4.42479	Sterimol/L: 21.2996

Surface and Volume Properties
Accessible surface: 616.223	Positive charged surface: 308.923	Negative charged surface: 296.171	Volume: 323.5
Hydrophobic surface: 565.672	Hydrophilic surface: 50.551

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: no related molecules available.