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MMsINC code: MMs00485462

Type: Neutral
Formula: C₁₄H₂₆N₄O₄

SMILES:

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

InChI:

InChI=1/C14H26N4O4/c1-9(17-12(19)10(16)5-2-3-7-15)13(20)18-8-4-6-11(18)14(21)22/h9-11H,2-8,15-16H2,1H3,(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6401 kcal/mol

Physical Properties
Molecular Weight: 314.386 g/mol	logS: -0.69315	SlogP: -0.977	Reactive groups: 0

Topological Properties
Globularity: 0.0580871	Sterimol/B1: 2.71238	Sterimol/B2: 2.88129	Sterimol/B3: 5.00931
Sterimol/B4: 7.01996	Sterimol/L: 17.1686

Surface and Volume Properties
Accessible surface: 592.2	Positive charged surface: 442.24	Negative charged surface: 149.96	Volume: 304
Hydrophobic surface: 314.883	Hydrophilic surface: 277.317

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

MMs00485463
BACHEM-ZINC04899894