MMsINC Database Search


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

MMsINC code: MMs00281616

Type: Neutral
Formula: C₁₀H₁₅FN₂O₃

SMILES:

FC1=CN(C(OCCCC)C)C(=O)NC1=O

InChI:

InChI=1/C10H15FN2O3/c1-3-4-5-16-7(2)13-6-8(11)9(14)12-10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14,15)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-3.76153 kcal/mol

Physical Properties
Molecular Weight: 230.239 g/mol	logS: -2.09108	SlogP: 1.6207	Reactive groups: 0

Topological Properties
Globularity: 0.144812	Sterimol/B1: 3.73408	Sterimol/B2: 4.02577	Sterimol/B3: 4.33182
Sterimol/B4: 5.72804	Sterimol/L: 12.7187

Surface and Volume Properties
Accessible surface: 452.948	Positive charged surface: 282.865	Negative charged surface: 170.083	Volume: 210.125
Hydrophobic surface: 287.211	Hydrophilic surface: 165.737

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.