MMsINC Database Search


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MMsINC code: MMs03661416

Type: Neutral
Formula: C₁₀H₁₄N₄O₃

SMILES:

OC(=O)c1cc(NC(N)N)c(NC(=O)C)cc1

InChI:

InChI=1/C10H14N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4,10,14H,11-12H2,1H3,(H,13,15)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-1.4052 kcal/mol

Physical Properties
Molecular Weight: 238.247 g/mol	logS: -0.1794	SlogP: -0.0439	Reactive groups: 0

Topological Properties
Globularity: 0.0486389	Sterimol/B1: 2.61661	Sterimol/B2: 3.10149	Sterimol/B3: 5.06444
Sterimol/B4: 6.08662	Sterimol/L: 12.5421

Surface and Volume Properties
Accessible surface: 455.345	Positive charged surface: 299.382	Negative charged surface: 155.964	Volume: 216.75
Hydrophobic surface: 183.087	Hydrophilic surface: 272.258

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 5	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.