MMsINC Database Search


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MMsINC code: MMs03130734

Type: Neutral
Formula: C₆H₁₀N₄O₂

SMILES:

OC(=O)C(NN)Cc1[nH]cnc1

InChI:

InChI=1/C6H10N4O2/c7-10-5(6(11)12)1-4-2-8-3-9-4/h2-3,5,10H,1,7H2,(H,8,9)(H,11,12)/t5-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.8324 kcal/mol

Physical Properties
Molecular Weight: 170.172 g/mol	logS: 0.15582	SlogP: -1.13133	Reactive groups: 0

Topological Properties
Globularity: 0.107559	Sterimol/B1: 2.48209	Sterimol/B2: 2.72555	Sterimol/B3: 3.24849
Sterimol/B4: 5.74469	Sterimol/L: 10.8765

Surface and Volume Properties
Accessible surface: 346.293	Positive charged surface: 271.219	Negative charged surface: 75.0737	Volume: 153.375
Hydrophobic surface: 144.893	Hydrophilic surface: 201.4

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.