MMsINC Database Search


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

MMsINC code: MMs01419359

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)COC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C18H19FN2O3/c1-21(2)16-5-3-4-14(10-16)18(23)24-12-17(22)20-11-13-6-8-15(19)9-7-13/h3-10H,11-12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0532 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -3.92947	SlogP: 2.6313	Reactive groups: 0

Topological Properties
Globularity: 0.0232325	Sterimol/B1: 3.61859	Sterimol/B2: 3.61968	Sterimol/B3: 4.0915
Sterimol/B4: 4.81996	Sterimol/L: 20.7704

Surface and Volume Properties
Accessible surface: 617.187	Positive charged surface: 400.669	Negative charged surface: 216.518	Volume: 314.75
Hydrophobic surface: 524.884	Hydrophilic surface: 92.303

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.