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MMsINC code: MMs02124065

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O(Cc1ccccc1)C(=O)N1CCCC1\C=C\CN1CCCC1

InChI:

InChI=1/C19H26N2O2/c22-19(23-16-17-8-2-1-3-9-17)21-15-7-11-18(21)10-6-14-20-12-4-5-13-20/h1-3,6,8-10,18H,4-5,7,11-16H2/b10-6+/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0967 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.01031	SlogP: 3.706	Reactive groups: 0

Topological Properties
Globularity: 0.123308	Sterimol/B1: 3.0561	Sterimol/B2: 3.34222	Sterimol/B3: 4.71657
Sterimol/B4: 8.27558	Sterimol/L: 15.661

Surface and Volume Properties
Accessible surface: 619.573	Positive charged surface: 457.339	Negative charged surface: 162.234	Volume: 328.625
Hydrophobic surface: 573.244	Hydrophilic surface: 46.329

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

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Ions/Tautomers related molecules

MMs02124066
KEYORGANICS-ZINC04108495