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MMsINC code: MMs01409534

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

Oc1cc(C)c(cc1CN1CCN(CC1)c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.819 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.71281	SlogP: 3.59764	Reactive groups: 0

Topological Properties
Globularity: 0.100722	Sterimol/B1: 2.55886	Sterimol/B2: 3.00875	Sterimol/B3: 5.24275
Sterimol/B4: 6.212	Sterimol/L: 16.7114

Surface and Volume Properties
Accessible surface: 563.419	Positive charged surface: 386.039	Negative charged surface: 177.38	Volume: 311.125
Hydrophobic surface: 508.037	Hydrophilic surface: 55.382

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

MMs01409535
ENAMINE-ZINC03384651