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MMsINC code: MMs02845873

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NC(CCCN(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O/c1-21(2)15-9-14-18(16-10-5-3-6-11-16)20-19(22)17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.1528 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.60034	SlogP: 3.595	Reactive groups: 0

Topological Properties
Globularity: 0.123258	Sterimol/B1: 3.70216	Sterimol/B2: 3.9612	Sterimol/B3: 4.66951
Sterimol/B4: 8.8487	Sterimol/L: 14.0635

Surface and Volume Properties
Accessible surface: 593.566	Positive charged surface: 406.533	Negative charged surface: 187.034	Volume: 319.5
Hydrophobic surface: 564.286	Hydrophilic surface: 29.28

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02845874
PUBCHEM-ZINC02005528