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MMsINC code: MMs02284643

Type: Neutral
Formula: C₁₄H₂₀N₄O₄

SMILES:

O=C1N(CC(=O)NC1)C(=O)C1N(CCC1)C(=O)C1NCCC1

InChI:

InChI=1/C14H20N4O4/c19-11-8-18(12(20)7-16-11)14(22)10-4-2-6-17(10)13(21)9-3-1-5-15-9/h9-10,15H,1-8H2,(H,16,19)/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.195 kcal/mol

Physical Properties
Molecular Weight: 308.338 g/mol	logS: -1.30412	SlogP: -1.7856	Reactive groups: 0

Topological Properties
Globularity: 0.0932208	Sterimol/B1: 2.68847	Sterimol/B2: 2.84567	Sterimol/B3: 4.31706
Sterimol/B4: 7.17425	Sterimol/L: 14.6297

Surface and Volume Properties
Accessible surface: 521.571	Positive charged surface: 385.745	Negative charged surface: 135.826	Volume: 278.25
Hydrophobic surface: 323.749	Hydrophilic surface: 197.822

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02284644
NCID-ZINC01643054