MMsINC Database Search


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MMsINC code: MMs02257267

Type: Neutral
Formula: C₁₀H₁₅N₃O₂

SMILES:

Oc1c(\C=N\N(C)C)c(cnc1C)CO

InChI:

InChI=1/C10H15N3O2/c1-7-10(15)9(5-12-13(2)3)8(6-14)4-11-7/h4-5,14-15H,6H2,1-3H3/b12-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9116 kcal/mol

Physical Properties
Molecular Weight: 209.249 g/mol	logS: 0.27705	SlogP: 0.74982	Reactive groups: 0

Topological Properties
Globularity: 0.0303447	Sterimol/B1: 2.17641	Sterimol/B2: 2.47561	Sterimol/B3: 2.518
Sterimol/B4: 8.48595	Sterimol/L: 11.6272

Surface and Volume Properties
Accessible surface: 437.505	Positive charged surface: 369.506	Negative charged surface: 67.9995	Volume: 208.5
Hydrophobic surface: 326.453	Hydrophilic surface: 111.052

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.