MMsINC Database Search


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MMsINC code: MMs01973079

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9815 kcal/mol

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

Topological Properties
Globularity: 0.0673078	Sterimol/B1: 3.05575	Sterimol/B2: 3.26801	Sterimol/B3: 3.47322
Sterimol/B4: 5.29205	Sterimol/L: 14.4031

Surface and Volume Properties
Accessible surface: 445.123	Positive charged surface: 227.502	Negative charged surface: 217.621	Volume: 225.25
Hydrophobic surface: 400.907	Hydrophilic surface: 44.216

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.