MMsINC Database Search


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

MMsINC code: MMs01536962

Type: Neutral
Formula: C₂₁H₁₉FN₂O₄

SMILES:

Fc1ccccc1NC(=O)C(OC(=O)c1ccccc1NCc1occc1)C

InChI:

InChI=1/C21H19FN2O4/c1-14(20(25)24-19-11-5-3-9-17(19)22)28-21(26)16-8-2-4-10-18(16)23-13-15-7-6-12-27-15/h2-12,14,23H,13H2,1H3,(H,24,25)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.789 kcal/mol

Physical Properties
Molecular Weight: 382.391 g/mol	logS: -5.70116	SlogP: 4.4812	Reactive groups: 0

Topological Properties
Globularity: 0.0666336	Sterimol/B1: 1.99275	Sterimol/B2: 5.4022	Sterimol/B3: 6.29334
Sterimol/B4: 7.23621	Sterimol/L: 17.8906

Surface and Volume Properties
Accessible surface: 669.29	Positive charged surface: 360.178	Negative charged surface: 309.112	Volume: 351
Hydrophobic surface: 568.866	Hydrophilic surface: 100.424

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