MMsINC Database Search


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

MMsINC code: MMs00608684

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

O=C(C)c1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C19H15NO2/c1-13(21)14-8-10-18(11-9-14)20-19(22)17-7-6-15-4-2-3-5-16(15)12-17/h2-12H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3854 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.54502	SlogP: 4.2947	Reactive groups: 0

Topological Properties
Globularity: 0.011142	Sterimol/B1: 2.5359	Sterimol/B2: 3.05487	Sterimol/B3: 3.9975
Sterimol/B4: 4.27762	Sterimol/L: 18.8528

Surface and Volume Properties
Accessible surface: 532.522	Positive charged surface: 277.908	Negative charged surface: 245.973	Volume: 286.625
Hydrophobic surface: 452.087	Hydrophilic surface: 80.435

Pharmacophoric Properties
Hydrogen bond donors: 1	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.