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MMsINC code: MMs02641612

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O=C1N(Cc2ccc(cc2)C)C(CC1)C(=O)NC1CCCCC1

InChI:

InChI=1/C19H26N2O2/c1-14-7-9-15(10-8-14)13-21-17(11-12-18(21)22)19(23)20-16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4475 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.77518	SlogP: 3.20132	Reactive groups: 0

Topological Properties
Globularity: 0.0890291	Sterimol/B1: 2.36884	Sterimol/B2: 2.47422	Sterimol/B3: 4.85341
Sterimol/B4: 9.16241	Sterimol/L: 15.8444

Surface and Volume Properties
Accessible surface: 584.88	Positive charged surface: 407.003	Negative charged surface: 177.877	Volume: 324.25
Hydrophobic surface: 514.96	Hydrophilic surface: 69.92

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.