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MMsINC code: MMs02344868

Type: Neutral
Formula: C₁₈H₂₀N₂O

SMILES:

O=C1NCC(N(C)C(C1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H20N2O/c1-20-16(14-8-4-2-5-9-14)12-18(21)19-13-17(20)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3,(H,19,21)/t16-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.24 kcal/mol

Physical Properties
Molecular Weight: 280.371 g/mol	logS: -3.22756	SlogP: 3.1117	Reactive groups: 0

Topological Properties
Globularity: 0.132632	Sterimol/B1: 2.57374	Sterimol/B2: 3.06844	Sterimol/B3: 3.99911
Sterimol/B4: 7.06492	Sterimol/L: 13.7165

Surface and Volume Properties
Accessible surface: 506.056	Positive charged surface: 322.093	Negative charged surface: 183.963	Volume: 285.25
Hydrophobic surface: 433.493	Hydrophilic surface: 72.563

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02344869
NCID-ZINC01719798