MMsINC Database Search


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

MMsINC code: MMs00119619

Type: Neutral
Formula: C₁₈H₁₉FN₂O₄

SMILES:

Fc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C18H19FN2O4/c1-18(2,3)12-4-7-14(8-5-12)25-11-17(22)20-16-10-13(21(23)24)6-9-15(16)19/h4-10H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.632 kcal/mol

Physical Properties
Molecular Weight: 346.358 g/mol	logS: -6.53648	SlogP: 4.0489	Reactive groups: 0

Topological Properties
Globularity: 0.0241007	Sterimol/B1: 2.1982	Sterimol/B2: 4.66298	Sterimol/B3: 4.72289
Sterimol/B4: 4.8596	Sterimol/L: 18.584

Surface and Volume Properties
Accessible surface: 603.824	Positive charged surface: 318.827	Negative charged surface: 284.997	Volume: 314.75
Hydrophobic surface: 418.051	Hydrophilic surface: 185.773

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.