MMsINC Database Search


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MMsINC code: MMs02093223

Type: Neutral
Formula: C₉H₁₀N₄O

SMILES:

O=C(NN)c1[nH]c2c(cccc2)c1N

InChI:

InChI=1/C9H10N4O/c10-7-5-3-1-2-4-6(5)12-8(7)9(14)13-11/h1-4,12H,10-11H2,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3552 kcal/mol

Physical Properties
Molecular Weight: 190.206 g/mol	logS: -1.78063	SlogP: 0.3536	Reactive groups: 0

Topological Properties
Globularity: 0.00263211	Sterimol/B1: 2.097	Sterimol/B2: 2.18501	Sterimol/B3: 4.34662
Sterimol/B4: 4.42349	Sterimol/L: 12.7002

Surface and Volume Properties
Accessible surface: 379.151	Positive charged surface: 225.65	Negative charged surface: 147.658	Volume: 173.625
Hydrophobic surface: 181.95	Hydrophilic surface: 197.201

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