MMsINC Database Search


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

MMsINC code: MMs00722836

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O(Cc1cc(ccc1)C(=O)NCc1ccccc1)c1cc2CCCc2cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.4929 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -6.47821	SlogP: 5.21704	Reactive groups: 0

Topological Properties
Globularity: 0.0382935	Sterimol/B1: 3.68805	Sterimol/B2: 3.72156	Sterimol/B3: 4.35037
Sterimol/B4: 4.70452	Sterimol/L: 21.9954

Surface and Volume Properties
Accessible surface: 681.748	Positive charged surface: 413.07	Negative charged surface: 268.678	Volume: 366.375
Hydrophobic surface: 625.687	Hydrophilic surface: 56.061

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.