MMsINC Database Search


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

MMsINC code: MMs03138035

Type: Neutral
Formula: C₁₉H₂₃FN₄O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCN(C(=O)c1ncc(nc1)C)CCOC

InChI:

InChI=1/C19H23FN4O3/c1-14-11-22-17(13-21-14)19(26)24(9-10-27-2)8-7-18(25)23-12-15-3-5-16(20)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.244 kcal/mol

Physical Properties
Molecular Weight: 374.416 g/mol	logS: -1.63506	SlogP: 1.98562	Reactive groups: 0

Topological Properties
Globularity: 0.0556916	Sterimol/B1: 2.30627	Sterimol/B2: 3.41205	Sterimol/B3: 4.54564
Sterimol/B4: 9.48394	Sterimol/L: 19.4047

Surface and Volume Properties
Accessible surface: 678.32	Positive charged surface: 486.214	Negative charged surface: 192.105	Volume: 354.75
Hydrophobic surface: 576.585	Hydrophilic surface: 101.735

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.