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MMsINC code: MMs02828183

Type: Neutral
Formula: C₁₆H₂₆N₂O₃

SMILES:

O(CC(O)CN(CCC)CCC)C(=O)Nc1ccccc1

InChI:

InChI=1/C16H26N2O3/c1-3-10-18(11-4-2)12-15(19)13-21-16(20)17-14-8-6-5-7-9-14/h5-9,15,19H,3-4,10-13H2,1-2H3,(H,17,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0263 kcal/mol

Physical Properties
Molecular Weight: 294.395 g/mol	logS: -2.4171	SlogP: 2.718	Reactive groups: 0

Topological Properties
Globularity: 0.0459345	Sterimol/B1: 2.3848	Sterimol/B2: 3.47741	Sterimol/B3: 3.94475
Sterimol/B4: 8.60801	Sterimol/L: 18.1109

Surface and Volume Properties
Accessible surface: 610.214	Positive charged surface: 428.166	Negative charged surface: 182.048	Volume: 307.875
Hydrophobic surface: 466.873	Hydrophilic surface: 143.341

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02828184
PUBCHEM-ZINC01855846