MMsINC Database Search


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MMsINC code: MMs02244755

Type: Neutral
Formula: C₉H₁₁FN₂O

SMILES:

FC(C(N)C(=O)N)c1ccccc1

InChI:

InChI=1/C9H11FN2O/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H2,12,13)/t7-,8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.7002 kcal/mol

Physical Properties
Molecular Weight: 182.198 g/mol	logS: -1.65205	SlogP: 0.6053	Reactive groups: 1

Topological Properties
Globularity: 0.117934	Sterimol/B1: 3.37511	Sterimol/B2: 3.38201	Sterimol/B3: 3.46975
Sterimol/B4: 3.7525	Sterimol/L: 11.8959

Surface and Volume Properties
Accessible surface: 370.648	Positive charged surface: 216.173	Negative charged surface: 154.474	Volume: 170
Hydrophobic surface: 198.122	Hydrophilic surface: 172.526

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.