MMsINC Database Search


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

MMsINC code: MMs01947941

Type: Neutral
Formula: C₁₈H₁₇FN₂O₃

SMILES:

Fc1cc2c(N(Cc3ccc(OC)cc3)C(=O)C2NC(=O)C)cc1

InChI:

InChI=1/C18H17FN2O3/c1-11(22)20-17-15-9-13(19)5-8-16(15)21(18(17)23)10-12-3-6-14(24-2)7-4-12/h3-9,17H,10H2,1-2H3,(H,20,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8797 kcal/mol

Physical Properties
Molecular Weight: 328.343 g/mol	logS: -3.89657	SlogP: 2.9202	Reactive groups: 0

Topological Properties
Globularity: 0.206238	Sterimol/B1: 2.2042	Sterimol/B2: 2.60528	Sterimol/B3: 5.94387
Sterimol/B4: 9.36592	Sterimol/L: 13.7538

Surface and Volume Properties
Accessible surface: 562.317	Positive charged surface: 346.789	Negative charged surface: 215.527	Volume: 302.75
Hydrophobic surface: 467.389	Hydrophilic surface: 94.928

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.