MMsINC Database Search


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MMsINC code: MMs00491160

Type: Neutral
Formula: C₁₇H₁₇FN₂O₃

SMILES:

Fc1ccc(OCC(=O)N\N=C\c2ccccc2OCC)cc1

InChI:

InChI=1/C17H17FN2O3/c1-2-22-16-6-4-3-5-13(16)11-19-20-17(21)12-23-15-9-7-14(18)8-10-15/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.087 kcal/mol

Physical Properties
Molecular Weight: 316.332 g/mol	logS: -4.28754	SlogP: 2.7535	Reactive groups: 0

Topological Properties
Globularity: 0.00547045	Sterimol/B1: 2.37784	Sterimol/B2: 2.37791	Sterimol/B3: 2.52558
Sterimol/B4: 8.08681	Sterimol/L: 19.049

Surface and Volume Properties
Accessible surface: 583.418	Positive charged surface: 365.087	Negative charged surface: 218.331	Volume: 296.125
Hydrophobic surface: 485.698	Hydrophilic surface: 97.72

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.