MMsINC Database Search


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MMsINC code: MMs02230608

Type: Neutral
Formula: C₆H₁₂FNO₂

SMILES:

FC(N)(CC(C)C)C(O)=O

InChI:

InChI=1/C6H12FNO2/c1-4(2)3-6(7,8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6554 kcal/mol

Physical Properties
Molecular Weight: 149.165 g/mol	logS: -1.21681	SlogP: 1.1615	Reactive groups: 0

Topological Properties
Globularity: 0.276953	Sterimol/B1: 2.52532	Sterimol/B2: 2.62732	Sterimol/B3: 4.23057
Sterimol/B4: 4.45665	Sterimol/L: 10.0334

Surface and Volume Properties
Accessible surface: 322.65	Positive charged surface: 201.934	Negative charged surface: 120.716	Volume: 139.625
Hydrophobic surface: 127.108	Hydrophilic surface: 195.542

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02230609
NCID-ZINC01570200