MMsINC Database Search


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MMsINC code: MMs02222402

Type: Neutral
Formula: C₁₀H₁₃N₅O₂

SMILES:

O=C(N)c1cc(cc(N=NN(C)C)c1)C(=O)N

InChI:

InChI=1/C10H13N5O2/c1-15(2)14-13-8-4-6(9(11)16)3-7(5-8)10(12)17/h3-5H,1-2H3,(H2,11,16)(H2,12,17)/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6396 kcal/mol

Physical Properties
Molecular Weight: 235.247 g/mol	logS: -1.73093	SlogP: 0.4447	Reactive groups: 0

Topological Properties
Globularity: 0.0109704	Sterimol/B1: 2.51328	Sterimol/B2: 2.51418	Sterimol/B3: 3.24064
Sterimol/B4: 7.88812	Sterimol/L: 13.4194

Surface and Volume Properties
Accessible surface: 466.373	Positive charged surface: 326.718	Negative charged surface: 139.656	Volume: 217.625
Hydrophobic surface: 256.517	Hydrophilic surface: 209.856

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.