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MMsINC code: MMs03125656

Type: Neutral
Formula: C₂₀H₃₆N₄O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CN1CCCCC1C)CN1CCCCC1C

InChI:

InChI=1/C20H36N4O2/c1-17-7-3-5-9-23(17)15-19(25)21-11-13-22(14-12-21)20(26)16-24-10-6-4-8-18(24)2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.518 kcal/mol

Physical Properties
Molecular Weight: 364.534 g/mol	logS: -1.83104	SlogP: 1.406	Reactive groups: 0

Topological Properties
Globularity: 0.0599804	Sterimol/B1: 2.22794	Sterimol/B2: 2.29691	Sterimol/B3: 5.99683
Sterimol/B4: 6.38656	Sterimol/L: 20.035

Surface and Volume Properties
Accessible surface: 664.485	Positive charged surface: 543.327	Negative charged surface: 121.159	Volume: 380.125
Hydrophobic surface: 577.377	Hydrophilic surface: 87.108

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03125657
PUBCHEM-ZINC04489277