MMsINC Database Search


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

MMsINC code: MMs00060159

Type: Neutral
Formula: C₁₅H₁₃NO₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)NC

InChI:

InChI=1/C15H13NO2/c1-16-15(17)14-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)14/h2-9,14H,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.5919 kcal/mol

Physical Properties
Molecular Weight: 239.274 g/mol	logS: -3.78389	SlogP: 2.6702	Reactive groups: 0

Topological Properties
Globularity: 0.131897	Sterimol/B1: 2.35216	Sterimol/B2: 2.53343	Sterimol/B3: 4.15326
Sterimol/B4: 8.43501	Sterimol/L: 12.0579

Surface and Volume Properties
Accessible surface: 456.425	Positive charged surface: 283.909	Negative charged surface: 172.517	Volume: 232.25
Hydrophobic surface: 423.352	Hydrophilic surface: 33.073

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.