MMsINC Database Search


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MMsINC code: MMs00091856

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃

SMILES:

FC1=CN(C2OCCC2)C(=O)N(Cc2ccccc2)C1=O

InChI:

InChI=1/C15H15FN2O3/c16-12-10-17(13-7-4-8-21-13)15(20)18(14(12)19)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9H2/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1105 kcal/mol

Physical Properties
Molecular Weight: 290.294 g/mol	logS: -2.93396	SlogP: 2.7735	Reactive groups: 0

Topological Properties
Globularity: 0.111157	Sterimol/B1: 2.29311	Sterimol/B2: 3.15273	Sterimol/B3: 4.90681
Sterimol/B4: 6.54388	Sterimol/L: 13.9563

Surface and Volume Properties
Accessible surface: 493.509	Positive charged surface: 298.676	Negative charged surface: 194.833	Volume: 260
Hydrophobic surface: 418.663	Hydrophilic surface: 74.846

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.