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MMsINC code: MMs02641336

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(Cc2ccc(cc2)C)C(CC1)(C(=O)NC1CCCC1)C

InChI:

InChI=1/C19H26N2O2/c1-14-7-9-15(10-8-14)13-21-17(22)11-12-19(21,2)18(23)20-16-5-3-4-6-16/h7-10,16H,3-6,11-13H2,1-2H3,(H,20,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4702 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.58717	SlogP: 3.20132	Reactive groups: 0

Topological Properties
Globularity: 0.267618	Sterimol/B1: 2.71984	Sterimol/B2: 3.84568	Sterimol/B3: 4.57992
Sterimol/B4: 8.00238	Sterimol/L: 12.2223

Surface and Volume Properties
Accessible surface: 513.068	Positive charged surface: 349.992	Negative charged surface: 163.076	Volume: 323.75
Hydrophobic surface: 438.367	Hydrophilic surface: 74.701

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: no related molecules available.