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MMsINC code: MMs02240284

Type: Tautomer
Formula: C₁₀H₁₄N₄O

SMILES:

O=C(Nc1ccc(N=NN(C)C)cc1)C

InChI:

InChI=1/C10H14N4O/c1-8(15)11-9-4-6-10(7-5-9)12-13-14(2)3/h4-7H,1-3H3,(H,11,15)/b13-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.968 kcal/mol

Physical Properties
Molecular Weight: 206.249 g/mol	logS: -1.43614	SlogP: 2.2053	Reactive groups: 0

Topological Properties
Globularity: 0.0669075	Sterimol/B1: 2.74606	Sterimol/B2: 3.15881	Sterimol/B3: 3.50194
Sterimol/B4: 5.33908	Sterimol/L: 13.72

Surface and Volume Properties
Accessible surface: 424.974	Positive charged surface: 284	Negative charged surface: 140.974	Volume: 202
Hydrophobic surface: 371.567	Hydrophilic surface: 53.407

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs02240283
NCID-ZINC01583387