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MMsINC code: MMs03212165

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

Oc1cc2CCc3c(N(c2cc1)CCCN(C)C)cccc3

InChI:

InChI=1/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4446 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.09276	SlogP: 3.58054	Reactive groups: 0

Topological Properties
Globularity: 0.223356	Sterimol/B1: 3.14601	Sterimol/B2: 5.46768	Sterimol/B3: 5.70559
Sterimol/B4: 6.38492	Sterimol/L: 14.135

Surface and Volume Properties
Accessible surface: 561.615	Positive charged surface: 413.371	Negative charged surface: 148.244	Volume: 313.25
Hydrophobic surface: 504.119	Hydrophilic surface: 57.496

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03212166
PUBCHEM-ZINC05140429