MMsINC Database Search


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

MMsINC code: MMs00608589

Type: Neutral
Formula: C₂₃H₁₇NO₂

SMILES:

O(c1ccc(NC(=O)c2c3c(ccc2)cccc3)cc1)c1ccccc1

InChI:

InChI=1/C23H17NO2/c25-23(22-12-6-8-17-7-4-5-11-21(17)22)24-18-13-15-20(16-14-18)26-19-9-2-1-3-10-19/h1-16H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.467 kcal/mol

Physical Properties
Molecular Weight: 339.394 g/mol	logS: -7.01546	SlogP: 5.8844	Reactive groups: 0

Topological Properties
Globularity: 0.0488687	Sterimol/B1: 2.65185	Sterimol/B2: 3.75294	Sterimol/B3: 5.41701
Sterimol/B4: 6.06455	Sterimol/L: 18.629

Surface and Volume Properties
Accessible surface: 607.927	Positive charged surface: 321.524	Negative charged surface: 275.853	Volume: 334.75
Hydrophobic surface: 579.657	Hydrophilic surface: 28.27

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.