MMsINC Database Search


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

MMsINC code: MMs01694349

Type: Neutral
Formula: C₁₈H₁₇FN₂O₃

SMILES:

Fc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccc(OC)cc1

InChI:

InChI=1/C18H17FN2O3/c1-18(13-7-9-14(24-2)10-8-13)16(22)21(17(23)20-18)11-12-5-3-4-6-15(12)19/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3555 kcal/mol

Physical Properties
Molecular Weight: 328.343 g/mol	logS: -4.24286	SlogP: 3.3794	Reactive groups: 0

Topological Properties
Globularity: 0.0926913	Sterimol/B1: 1.969	Sterimol/B2: 3.30709	Sterimol/B3: 4.6
Sterimol/B4: 6.19347	Sterimol/L: 17.2306

Surface and Volume Properties
Accessible surface: 542.652	Positive charged surface: 332.42	Negative charged surface: 210.231	Volume: 300.625
Hydrophobic surface: 439.409	Hydrophilic surface: 103.243

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.