MMsINC Database Search


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MMsINC code: MMs00589743

Type: Neutral
Formula: C₁₆H₁₁FO₃

SMILES:

Fc1ccc(cc1)COc1cc2OC(=O)C=Cc2cc1

InChI:

InChI=1/C16H11FO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8728 kcal/mol

Physical Properties
Molecular Weight: 270.259 g/mol	logS: -4.88426	SlogP: 3.6033	Reactive groups: 0

Topological Properties
Globularity: 0.0519477	Sterimol/B1: 2.42103	Sterimol/B2: 3.97355	Sterimol/B3: 4.3603
Sterimol/B4: 4.8186	Sterimol/L: 16.5887

Surface and Volume Properties
Accessible surface: 485.096	Positive charged surface: 243.672	Negative charged surface: 241.424	Volume: 244.125
Hydrophobic surface: 409.014	Hydrophilic surface: 76.082

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.