MMsINC Database Search


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MMsINC code: MMs02815904

Type: Neutral
Formula: C₁₄H₁₆N₄O₅

SMILES:

O=C1N(CC(=O)C)C(=O)N(c2ncn(c12)CC(=O)C)CC(=O)C

InChI:

InChI=1/C14H16N4O5/c1-8(19)4-16-7-15-12-11(16)13(22)18(6-10(3)21)14(23)17(12)5-9(2)20/h7H,4-6H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=0.215714 kcal/mol

Physical Properties
Molecular Weight: 320.305 g/mol	logS: -1.70446	SlogP: 0.2987	Reactive groups: 1

Topological Properties
Globularity: 0.106081	Sterimol/B1: 2.53401	Sterimol/B2: 4.26332	Sterimol/B3: 4.51948
Sterimol/B4: 8.10902	Sterimol/L: 14.0227

Surface and Volume Properties
Accessible surface: 548.023	Positive charged surface: 350.564	Negative charged surface: 197.459	Volume: 284.25
Hydrophobic surface: 379.204	Hydrophilic surface: 168.819

Pharmacophoric Properties
Hydrogen bond donors: 0	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.