MMsINC Database Search


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MMsINC code: MMs01973078

Type: Neutral
Formula: C₁₅H₁₁FO₂

SMILES:

Fc1cc2c(OC(CC2=O)c2ccccc2)cc1

InChI:

InChI=1/C15H11FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9006 kcal/mol

Physical Properties
Molecular Weight: 242.249 g/mol	logS: -3.83381	SlogP: 3.6277	Reactive groups: 0

Topological Properties
Globularity: 0.0742594	Sterimol/B1: 3.08799	Sterimol/B2: 3.40474	Sterimol/B3: 3.48971
Sterimol/B4: 5.28276	Sterimol/L: 14.4045

Surface and Volume Properties
Accessible surface: 444.996	Positive charged surface: 228.48	Negative charged surface: 216.516	Volume: 224.625
Hydrophobic surface: 400.237	Hydrophilic surface: 44.759

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.