MMsINC Database Search


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MMsINC code: MMs02519772

Type: Neutral
Formula: C₂₄H₁₄F₂O₄

SMILES:

Fc1cc(ccc1O)C1(OC(=O)c2c3c1cccc3ccc2)c1cc(F)c(O)cc1

InChI:

InChI=1/C24H14F2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.251 kcal/mol

Physical Properties
Molecular Weight: 404.368 g/mol	logS: -7.16875	SlogP: 5.303	Reactive groups: 0

Topological Properties
Globularity: 0.329183	Sterimol/B1: 3.7213	Sterimol/B2: 4.02403	Sterimol/B3: 5.57031
Sterimol/B4: 7.97379	Sterimol/L: 14.5598

Surface and Volume Properties
Accessible surface: 590.285	Positive charged surface: 290.317	Negative charged surface: 291.312	Volume: 345.875
Hydrophobic surface: 451.328	Hydrophilic surface: 138.957

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

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Ions/Tautomers related molecules: no related molecules available.