MMsINC Database Search


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MMsINC code: MMs00044822

Type: Neutral
Formula: C₁₀H₁₃FO

SMILES:

Fc1cc(CC)c(O)c(c1)CC

InChI:

InChI=1/C10H13FO/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2111 kcal/mol

Physical Properties
Molecular Weight: 168.211 g/mol	logS: -2.66929	SlogP: 2.65604	Reactive groups: 0

Topological Properties
Globularity: 0.109085	Sterimol/B1: 2.17246	Sterimol/B2: 2.72239	Sterimol/B3: 3.43548
Sterimol/B4: 6.0243	Sterimol/L: 11.1248

Surface and Volume Properties
Accessible surface: 364.378	Positive charged surface: 225.85	Negative charged surface: 138.528	Volume: 170.875
Hydrophobic surface: 292.012	Hydrophilic surface: 72.366

Pharmacophoric Properties
Hydrogen bond donors: 1	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.