MMsINC Database Search


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

MMsINC code: MMs00544346

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1cc(NC(=O)C(=O)c2c3c([nH]c2C)cccc3)ccc1

InChI:

InChI=1/C17H13FN2O2/c1-10-15(13-7-2-3-8-14(13)19-10)16(21)17(22)20-12-6-4-5-11(18)9-12/h2-9,19H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5312 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -4.58449	SlogP: 3.43682	Reactive groups: 0

Topological Properties
Globularity: 0.0835064	Sterimol/B1: 2.21039	Sterimol/B2: 3.24425	Sterimol/B3: 4.567
Sterimol/B4: 8.11869	Sterimol/L: 15.1059

Surface and Volume Properties
Accessible surface: 524.628	Positive charged surface: 265.029	Negative charged surface: 255.293	Volume: 273.5
Hydrophobic surface: 433.015	Hydrophilic surface: 91.613

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.