MMsINC Database Search


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MMsINC code: MMs03221685

Type: Neutral
Formula: C₁₁H₁₆N₄O₄

SMILES:

O=C1NC(=O)CN(C1)CCCN1CC(=O)NC(=O)C1

InChI:

InChI=1/C11H16N4O4/c16-8-4-14(5-9(17)12-8)2-1-3-15-6-10(18)13-11(19)7-15/h1-7H2,(H,12,16,17)(H,13,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.459 kcal/mol

Physical Properties
Molecular Weight: 268.273 g/mol	logS: -1.00553	SlogP: -2.7067	Reactive groups: 0

Topological Properties
Globularity: 0.0413773	Sterimol/B1: 2.4216	Sterimol/B2: 2.81402	Sterimol/B3: 3.01548
Sterimol/B4: 5.77017	Sterimol/L: 15.1629

Surface and Volume Properties
Accessible surface: 470.411	Positive charged surface: 315.637	Negative charged surface: 154.773	Volume: 234.625
Hydrophobic surface: 209.367	Hydrophilic surface: 261.044

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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: no related molecules available.