MMsINC Database Search


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MMsINC code: MMs01372026

Type: Neutral
Formula: C₁₈H₁₆F₂N₂O₃

SMILES:

FC(F)Oc1ccccc1\C=N\OCC(=O)N1CCc2c1cccc2

InChI:

InChI=1/C18H16F2N2O3/c19-18(20)25-16-8-4-2-6-14(16)11-21-24-12-17(23)22-10-9-13-5-1-3-7-15(13)22/h1-8,11,18H,9-10,12H2/b21-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.921 kcal/mol

Physical Properties
Molecular Weight: 346.333 g/mol	logS: -3.8271	SlogP: 3.64767	Reactive groups: 0

Topological Properties
Globularity: 0.00983986	Sterimol/B1: 2.50607	Sterimol/B2: 2.62562	Sterimol/B3: 2.65062
Sterimol/B4: 7.53223	Sterimol/L: 16.6529

Surface and Volume Properties
Accessible surface: 578.987	Positive charged surface: 337.486	Negative charged surface: 241.501	Volume: 306.125
Hydrophobic surface: 431.042	Hydrophilic surface: 147.945

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.