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MMsINC code: MMs00653656

Type: Neutral
Formula: C₁₈H₂₄N₂O₂

SMILES:

o1c2c(cccc2)c(C)c1C(=O)NC(CN1CCCCC1)C

InChI:

InChI=1/C18H24N2O2/c1-13(12-20-10-6-3-7-11-20)19-18(21)17-14(2)15-8-4-5-9-16(15)22-17/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0766 kcal/mol

Physical Properties
Molecular Weight: 300.402 g/mol	logS: -4.26898	SlogP: 3.34542	Reactive groups: 0

Topological Properties
Globularity: 0.1452	Sterimol/B1: 2.53068	Sterimol/B2: 3.53096	Sterimol/B3: 5.66363
Sterimol/B4: 6.57536	Sterimol/L: 14.9431

Surface and Volume Properties
Accessible surface: 576.755	Positive charged surface: 406.658	Negative charged surface: 164.169	Volume: 311.375
Hydrophobic surface: 523.061	Hydrophilic surface: 53.694

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

MMs00653657
CHEMBRIDGE-ZINC01053521