MMsINC Database Search


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

MMsINC code: MMs00918158

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(C(=O)c1ccc(cc1)-c1ncc(cc1)CCC)c1ccc(cc1)CC

InChI:

InChI=1/C23H23NO2/c1-3-5-18-8-15-22(24-16-18)19-9-11-20(12-10-19)23(25)26-21-13-6-17(4-2)7-14-21/h6-16H,3-5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3784 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.81603	SlogP: 5.48264	Reactive groups: 0

Topological Properties
Globularity: 0.0192873	Sterimol/B1: 2.75332	Sterimol/B2: 3.60222	Sterimol/B3: 4.20244
Sterimol/B4: 4.22946	Sterimol/L: 23.6241

Surface and Volume Properties
Accessible surface: 663.955	Positive charged surface: 414.496	Negative charged surface: 244.564	Volume: 358
Hydrophobic surface: 574.419	Hydrophilic surface: 89.536

Pharmacophoric Properties
Hydrogen bond donors: 0	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.