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MMsINC code: MMs03212222

Type: Neutral
Formula: C₂₃H₂₆N₂

SMILES:

N(C(CN(C)C)c1ccccc1)(Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H26N2/c1-24(2)19-23(21-14-8-4-9-15-21)25(22-16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-17,23H,18-19H2,1-2H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.8 kcal/mol

Physical Properties
Molecular Weight: 330.475 g/mol	logS: -4.74598	SlogP: 5.358	Reactive groups: 0

Topological Properties
Globularity: 0.444252	Sterimol/B1: 3.26557	Sterimol/B2: 4.85232	Sterimol/B3: 6.85158
Sterimol/B4: 7.08794	Sterimol/L: 12.8185

Surface and Volume Properties
Accessible surface: 575.842	Positive charged surface: 389.914	Negative charged surface: 185.927	Volume: 357.5
Hydrophobic surface: 566.318	Hydrophilic surface: 9.524

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03212223
PUBCHEM-ZINC05140473