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MMsINC code: MMs03228950

Type: Neutral
Formula: C₁₇H₂₄N₂O

SMILES:

Oc1c2ncccc2ccc1C(N(CC)CC)C(C)C

InChI:

InChI=1/C17H24N2O/c1-5-19(6-2)16(12(3)4)14-10-9-13-8-7-11-18-15(13)17(14)20/h7-12,16,20H,5-6H2,1-4H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.78 kcal/mol

Physical Properties
Molecular Weight: 272.392 g/mol	logS: -2.86809	SlogP: 4.0748	Reactive groups: 0

Topological Properties
Globularity: 0.235705	Sterimol/B1: 2.44694	Sterimol/B2: 3.41166	Sterimol/B3: 6.27387
Sterimol/B4: 6.55092	Sterimol/L: 13.0247

Surface and Volume Properties
Accessible surface: 507.971	Positive charged surface: 355.048	Negative charged surface: 147.231	Volume: 288.375
Hydrophobic surface: 385.135	Hydrophilic surface: 122.836

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03228951
PUBCHEM-ZINC05261324