MMsINC Database Search


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

MMsINC code: MMs01841527

Type: Neutral
Formula: C₁₈H₂₄FN₂O₃P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(Nc1ncccc1)c1ccc(F)cc1

InChI:

InChI=1/C18H24FN2O3P/c1-13(2)23-25(22,24-14(3)4)18(15-8-10-16(19)11-9-15)21-17-7-5-6-12-20-17/h5-14,18H,1-4H3,(H,20,21)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7635 kcal/mol

Physical Properties
Molecular Weight: 366.373 g/mol	logS: -3.50775	SlogP: 4.3998	Reactive groups: 0

Topological Properties
Globularity: 0.233469	Sterimol/B1: 2.49433	Sterimol/B2: 3.94496	Sterimol/B3: 4.59084
Sterimol/B4: 10.5977	Sterimol/L: 13.6977

Surface and Volume Properties
Accessible surface: 610.668	Positive charged surface: 373.553	Negative charged surface: 237.115	Volume: 347.125
Hydrophobic surface: 491	Hydrophilic surface: 119.668

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.