MMsINC Database Search


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MMsINC code: MMs01779304

Type: Neutral
Formula: C₁₀H₁₄N₄O₄

SMILES:

O=C1NC(=O)CN(C1)CCN1CC(=O)NC(=O)C1

InChI:

InChI=1/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3469 kcal/mol

Physical Properties
Molecular Weight: 254.246 g/mol	logS: -0.80376	SlogP: -3.0968	Reactive groups: 0

Topological Properties
Globularity: 0.0922785	Sterimol/B1: 2.44931	Sterimol/B2: 2.69476	Sterimol/B3: 3.83229
Sterimol/B4: 5.02518	Sterimol/L: 13.6716

Surface and Volume Properties
Accessible surface: 439.985	Positive charged surface: 286.326	Negative charged surface: 153.66	Volume: 215.75
Hydrophobic surface: 176.607	Hydrophilic surface: 263.378

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.