MMsINC Database Search


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

MMsINC code: MMs01540313

Type: Neutral
Formula: C₁₈H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CN1C(=O)C(NC1=O)(C)c1ccc(cc1)C

InChI:

InChI=1/C18H17FN2O2/c1-12-3-7-14(8-4-12)18(2)16(22)21(17(23)20-18)11-13-5-9-15(19)10-6-13/h3-10H,11H2,1-2H3,(H,20,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.707 kcal/mol

Physical Properties
Molecular Weight: 312.344 g/mol	logS: -4.6664	SlogP: 3.67922	Reactive groups: 0

Topological Properties
Globularity: 0.184326	Sterimol/B1: 2.84349	Sterimol/B2: 3.55307	Sterimol/B3: 4.08153
Sterimol/B4: 8.0344	Sterimol/L: 12.8814

Surface and Volume Properties
Accessible surface: 535.511	Positive charged surface: 298.883	Negative charged surface: 236.628	Volume: 293
Hydrophobic surface: 435.841	Hydrophilic surface: 99.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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.