MMsINC Database Search


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

MMsINC code: MMs02224738

Type: Neutral
Formula: C₂₃H₁₉NO

SMILES:

OC(Cc1cc2c(nc1)cccc2)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19NO/c25-23(20-10-3-1-4-11-20,21-12-5-2-6-13-21)16-18-15-19-9-7-8-14-22(19)24-17-18/h1-15,17,25H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.093 kcal/mol

Physical Properties
Molecular Weight: 325.411 g/mol	logS: -5.34171	SlogP: 5.02487	Reactive groups: 0

Topological Properties
Globularity: 0.137241	Sterimol/B1: 3.00359	Sterimol/B2: 3.4158	Sterimol/B3: 4.4729
Sterimol/B4: 7.52812	Sterimol/L: 16.2996

Surface and Volume Properties
Accessible surface: 560.732	Positive charged surface: 314.793	Negative charged surface: 242.236	Volume: 331.375
Hydrophobic surface: 527.982	Hydrophilic surface: 32.75

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.