MMsINC Database Search


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MMsINC code: MMs02574842

Type: Neutral
Formula: C₁₅H₁₃FO₂

SMILES:

Fc1ccc(cc1)COC(=O)c1cc(ccc1)C

InChI:

InChI=1/C15H13FO2/c1-11-3-2-4-13(9-11)15(17)18-10-12-5-7-14(16)8-6-12/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6885 kcal/mol

Physical Properties
Molecular Weight: 244.265 g/mol	logS: -4.30341	SlogP: 3.75752	Reactive groups: 0

Topological Properties
Globularity: 0.0571782	Sterimol/B1: 3.48109	Sterimol/B2: 3.61733	Sterimol/B3: 3.6213
Sterimol/B4: 5.10083	Sterimol/L: 15.7929

Surface and Volume Properties
Accessible surface: 486.275	Positive charged surface: 263.91	Negative charged surface: 222.365	Volume: 238
Hydrophobic surface: 444.131	Hydrophilic surface: 42.144

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.