MMsINC Database Search


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

MMsINC code: MMs00858910

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O1CCc2c(cccc2)C1CNC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO2/c26-24(25-17-22-21-14-8-7-9-18(21)15-16-27-22)23(19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,22-23H,15-17H2,(H,25,26)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.541 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -5.32935	SlogP: 4.34417	Reactive groups: 0

Topological Properties
Globularity: 0.0833722	Sterimol/B1: 2.66538	Sterimol/B2: 3.42989	Sterimol/B3: 4.36026
Sterimol/B4: 8.8406	Sterimol/L: 16.5436

Surface and Volume Properties
Accessible surface: 645.802	Positive charged surface: 397.261	Negative charged surface: 248.541	Volume: 362.375
Hydrophobic surface: 612.107	Hydrophilic surface: 33.695

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.