MMsINC Database Search


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MMsINC code: MMs01295078

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)NCC(N1CCOCC1)c1ccc(F)cc1

InChI:

InChI=1/C19H20F2N2O2/c20-15-7-5-14(6-8-15)18(23-9-11-25-12-10-23)13-22-19(24)16-3-1-2-4-17(16)21/h1-8,18H,9-13H2,(H,22,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4568 kcal/mol

Physical Properties
Molecular Weight: 346.377 g/mol	logS: -4.07824	SlogP: 2.8636	Reactive groups: 0

Topological Properties
Globularity: 0.0917722	Sterimol/B1: 2.26846	Sterimol/B2: 5.12695	Sterimol/B3: 5.35191
Sterimol/B4: 6.29943	Sterimol/L: 15.8507

Surface and Volume Properties
Accessible surface: 575.545	Positive charged surface: 364.309	Negative charged surface: 211.235	Volume: 320.375
Hydrophobic surface: 525.141	Hydrophilic surface: 50.404

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01295079
ENAMINE-ZINC03173794