MMsINC Database Search


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MMsINC code: MMs02550282

Type: Neutral
Formula: C₂₁H₁₉FO₃

SMILES:

Fc1cc(ccc1)C(O)(c1cc(OC)ccc1)c1cc(OC)ccc1

InChI:

InChI=1/C21H19FO3/c1-24-19-10-4-7-16(13-19)21(23,15-6-3-9-18(22)12-15)17-8-5-11-20(14-17)25-2/h3-14,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.285 kcal/mol

Physical Properties
Molecular Weight: 338.378 g/mol	logS: -5.08744	SlogP: 4.4386	Reactive groups: 0

Topological Properties
Globularity: 0.259703	Sterimol/B1: 2.18876	Sterimol/B2: 3.09102	Sterimol/B3: 5.67652
Sterimol/B4: 10.457	Sterimol/L: 13.685

Surface and Volume Properties
Accessible surface: 578.033	Positive charged surface: 365.028	Negative charged surface: 213.005	Volume: 321.625
Hydrophobic surface: 536.9	Hydrophilic surface: 41.133

Pharmacophoric Properties
Hydrogen bond donors: 1	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.