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MMsINC code: MMs00720956

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NCCN(C)C)CC(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.774 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.01475	SlogP: 2.8864	Reactive groups: 0

Topological Properties
Globularity: 0.0863054	Sterimol/B1: 2.97035	Sterimol/B2: 3.8963	Sterimol/B3: 3.90527
Sterimol/B4: 7.61863	Sterimol/L: 16.9698

Surface and Volume Properties
Accessible surface: 593.36	Positive charged surface: 428.201	Negative charged surface: 165.159	Volume: 317.5
Hydrophobic surface: 554.082	Hydrophilic surface: 39.278

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

MMs00720957
CHEMBRIDGE-ZINC02825417