MMsINC Database Search


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

MMsINC code: MMs02578796

Type: Neutral
Formula: C₂₄H₂₂NO₂+

SMILES:

[o+]1c2c(cc(OC)cc2)c(N(Cc2ccccc2)C)cc1-c1ccccc1

InChI:

InChI=1/C24H22NO2/c1-25(17-18-9-5-3-6-10-18)22-16-24(19-11-7-4-8-12-19)27-23-14-13-20(26-2)15-21(22)23/h3-16H,17H2,1-2H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.3 kcal/mol

Physical Properties
Molecular Weight: 356.445 g/mol	logS: -7.24533	SlogP: 6.2923	Reactive groups: 0

Topological Properties
Globularity: 0.0545524	Sterimol/B1: 2.29119	Sterimol/B2: 4.76682	Sterimol/B3: 5.02146
Sterimol/B4: 9.31377	Sterimol/L: 16.7891

Surface and Volume Properties
Accessible surface: 635.373	Positive charged surface: 402.051	Negative charged surface: 223.887	Volume: 364.875
Hydrophobic surface: 601.583	Hydrophilic surface: 33.79

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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.