MMsINC Database Search


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

MMsINC code: MMs02006819

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)NCCc1cc2c(nc1O)cc(OC)cc2

InChI:

InChI=1/C19H17FN2O3/c1-25-16-7-4-13-10-14(19(24)22-17(13)11-16)8-9-21-18(23)12-2-5-15(20)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0595 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.24359	SlogP: 3.06057	Reactive groups: 0

Topological Properties
Globularity: 0.0406774	Sterimol/B1: 3.27513	Sterimol/B2: 3.39881	Sterimol/B3: 4.20399
Sterimol/B4: 5.18239	Sterimol/L: 21.0315

Surface and Volume Properties
Accessible surface: 598.464	Positive charged surface: 351.681	Negative charged surface: 241.247	Volume: 311.875
Hydrophobic surface: 471.133	Hydrophilic surface: 127.331

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.