MMsINC Database Search


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

MMsINC code: MMs02023476

Type: Neutral
Formula: C₁₈H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(=O)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C18H15FN2O2/c1-11-16(14-4-2-3-5-15(14)21-11)17(22)18(23)20-10-12-6-8-13(19)9-7-12/h2-9,21H,10H2,1H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0657 kcal/mol

Physical Properties
Molecular Weight: 310.328 g/mol	logS: -4.52853	SlogP: 3.38092	Reactive groups: 0

Topological Properties
Globularity: 0.0322059	Sterimol/B1: 2.20352	Sterimol/B2: 3.4281	Sterimol/B3: 3.53289
Sterimol/B4: 8.37616	Sterimol/L: 17.0702

Surface and Volume Properties
Accessible surface: 562.535	Positive charged surface: 294.555	Negative charged surface: 263.698	Volume: 290.375
Hydrophobic surface: 462.538	Hydrophilic surface: 99.997

Pharmacophoric Properties
Hydrogen bond donors: 2	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.