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MMsINC code: MMs00482659

Type: Neutral
Formula: C₁₆H₃₀N₄O₄

SMILES:

OC(=O)C(NC(=O)C1N(CCC1)C(=O)C(N)CCCCN)C(C)C

InChI:

InChI=1/C16H30N4O4/c1-10(2)13(16(23)24)19-14(21)12-7-5-9-20(12)15(22)11(18)6-3-4-8-17/h10-13H,3-9,17-18H2,1-2H3,(H,19,21)(H,23,24)/t11-,12-,13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.631 kcal/mol

Physical Properties
Molecular Weight: 342.44 g/mol	logS: -1.09669	SlogP: -0.3409	Reactive groups: 0

Topological Properties
Globularity: 0.0836174	Sterimol/B1: 2.32923	Sterimol/B2: 3.50452	Sterimol/B3: 4.81847
Sterimol/B4: 8.3916	Sterimol/L: 18.1006

Surface and Volume Properties
Accessible surface: 622.166	Positive charged surface: 490.507	Negative charged surface: 131.659	Volume: 335.875
Hydrophobic surface: 360.551	Hydrophilic surface: 261.615

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs00482660
BACHEM-ZINC02012357