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MMsINC code: MMs02306389

Type: Neutral
Formula: C₁₅H₂₀N₂O

SMILES:

O=C(C(CN(C)C)C)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C15H20N2O/c1-11(9-16(2)3)15(18)13-10-17(4)14-8-6-5-7-12(13)14/h5-8,10-11H,9H2,1-4H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9904 kcal/mol

Physical Properties
Molecular Weight: 244.338 g/mol	logS: -1.85528	SlogP: 2.9179	Reactive groups: 0

Topological Properties
Globularity: 0.0720366	Sterimol/B1: 2.00986	Sterimol/B2: 4.72447	Sterimol/B3: 5.1102
Sterimol/B4: 5.42209	Sterimol/L: 15.0114

Surface and Volume Properties
Accessible surface: 497.059	Positive charged surface: 362.649	Negative charged surface: 129.476	Volume: 259.75
Hydrophobic surface: 444.983	Hydrophilic surface: 52.076

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02306390
NCID-ZINC01670338