MMsINC Database Search


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MMsINC code: MMs00633134

Type: Neutral
Formula: C₂₀H₁₂F₂O₃

SMILES:

Fc1cccc(F)c1COc1cc2OC(=O)c3c(-c2cc1)cccc3

InChI:

InChI=1/C20H12F2O3/c21-17-6-3-7-18(22)16(17)11-24-12-8-9-14-13-4-1-2-5-15(13)20(23)25-19(14)10-12/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.312 kcal/mol

Physical Properties
Molecular Weight: 338.309 g/mol	logS: -7.0998	SlogP: 5.0098	Reactive groups: 0

Topological Properties
Globularity: 0.0370966	Sterimol/B1: 2.44501	Sterimol/B2: 3.76292	Sterimol/B3: 3.84566
Sterimol/B4: 6.5227	Sterimol/L: 18.3588

Surface and Volume Properties
Accessible surface: 557.746	Positive charged surface: 261.426	Negative charged surface: 285.628	Volume: 296.375
Hydrophobic surface: 487.6	Hydrophilic surface: 70.146

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.