MMsINC Database Search


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MMsINC code: MMs01369443

Type: Neutral
Formula: C₇H₁₀N₄O

SMILES:

O=C(NN)c1ccc(NN)cc1

InChI:

InChI=1/C7H10N4O/c8-10-6-3-1-5(2-4-6)7(12)11-9/h1-4,10H,8-9H2,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0718 kcal/mol

Physical Properties
Molecular Weight: 166.184 g/mol	logS: -1.31774	SlogP: -0.4243	Reactive groups: 0

Topological Properties
Globularity: 0.00566546	Sterimol/B1: 2.0998	Sterimol/B2: 2.17344	Sterimol/B3: 2.45664
Sterimol/B4: 4.96215	Sterimol/L: 12.6645

Surface and Volume Properties
Accessible surface: 355.215	Positive charged surface: 223.213	Negative charged surface: 132.001	Volume: 154.625
Hydrophobic surface: 136.109	Hydrophilic surface: 219.106

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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.