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MMsINC code: MMs02914132

Type: Neutral
Formula: C₁₆H₂₄N₂O₄

SMILES:

O1CCN(CC1)CCCNC(=O)c1c(OC)cccc1OC

InChI:

InChI=1/C16H24N2O4/c1-20-13-5-3-6-14(21-2)15(13)16(19)17-7-4-8-18-9-11-22-12-10-18/h3,5-6H,4,7-12H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8503 kcal/mol

Physical Properties
Molecular Weight: 308.378 g/mol	logS: -2.02291	SlogP: 1.1559	Reactive groups: 0

Topological Properties
Globularity: 0.0630261	Sterimol/B1: 2.28998	Sterimol/B2: 3.72099	Sterimol/B3: 4.30476
Sterimol/B4: 9.53162	Sterimol/L: 16.9534

Surface and Volume Properties
Accessible surface: 602.067	Positive charged surface: 502.36	Negative charged surface: 99.7076	Volume: 306.875
Hydrophobic surface: 536.721	Hydrophilic surface: 65.346

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs02914133
PUBCHEM-ZINC02739082