MMsINC Database Search


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MMsINC code: MMs00622861

Type: Neutral
Formula: C₁₆H₁₅FO₄

SMILES:

Fc1ccccc1OC(C(Oc1ccc(OC)cc1)=O)C

InChI:

InChI=1/C16H15FO4/c1-11(20-15-6-4-3-5-14(15)17)16(18)21-13-9-7-12(19-2)8-10-13/h3-11H,1-2H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1445 kcal/mol

Physical Properties
Molecular Weight: 290.29 g/mol	logS: -4.24833	SlogP: 3.2072	Reactive groups: 0

Topological Properties
Globularity: 0.0569734	Sterimol/B1: 2.00073	Sterimol/B2: 3.50061	Sterimol/B3: 4.13258
Sterimol/B4: 5.62528	Sterimol/L: 18.0533

Surface and Volume Properties
Accessible surface: 532.706	Positive charged surface: 316.831	Negative charged surface: 215.875	Volume: 269.25
Hydrophobic surface: 467.455	Hydrophilic surface: 65.251

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.