MMsINC Database Search


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MMsINC code: MMs00005942

Type: Neutral
Formula: C₁₀H₁₁FO

SMILES:

Fc1ccc(cc1)C(O)C1CC1

InChI:

InChI=1/C10H11FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2722 kcal/mol

Physical Properties
Molecular Weight: 166.195 g/mol	logS: -2.07959	SlogP: 2.3646	Reactive groups: 0

Topological Properties
Globularity: 0.107426	Sterimol/B1: 2.48727	Sterimol/B2: 3.22095	Sterimol/B3: 3.2603
Sterimol/B4: 5.06016	Sterimol/L: 11.233

Surface and Volume Properties
Accessible surface: 355.493	Positive charged surface: 198.016	Negative charged surface: 157.477	Volume: 164.625
Hydrophobic surface: 287.461	Hydrophilic surface: 68.032

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