MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02148371

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O₃

SMILES:

Fc1cc(c2OCOCc2c1)C(=O)N1CCN(CC1)c1ccc(F)cc1

InChI:

InChI=1/C19H18F2N2O3/c20-14-1-3-16(4-2-14)22-5-7-23(8-6-22)19(24)17-10-15(21)9-13-11-25-12-26-18(13)17/h1-4,9-10H,5-8,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.009 kcal/mol

Physical Properties
Molecular Weight: 360.36 g/mol	logS: -3.90649	SlogP: 3.0601	Reactive groups: 0

Topological Properties
Globularity: 0.135059	Sterimol/B1: 4.05381	Sterimol/B2: 4.07888	Sterimol/B3: 4.89203
Sterimol/B4: 5.05622	Sterimol/L: 16.2819

Surface and Volume Properties
Accessible surface: 577.041	Positive charged surface: 366.091	Negative charged surface: 210.95	Volume: 314.5
Hydrophobic surface: 481.181	Hydrophilic surface: 95.86

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.