MMsINC Database Search


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MMsINC code: MMs00099210

Type: Neutral
Formula: C₁₀H₁₄N₆

SMILES:

[nH]1nc(N=NN(C)C)c2c1nc(cc2C)C

InChI:

InChI=1/C10H14N6/c1-6-5-7(2)11-9-8(6)10(13-12-9)14-15-16(3)4/h5H,1-4H3,(H,11,12,13)/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3692 kcal/mol

Physical Properties
Molecular Weight: 218.264 g/mol	logS: -2.5869	SlogP: 2.13504	Reactive groups: 0

Topological Properties
Globularity: 0.0168734	Sterimol/B1: 2.30705	Sterimol/B2: 2.51243	Sterimol/B3: 2.52661
Sterimol/B4: 6.9479	Sterimol/L: 14.366

Surface and Volume Properties
Accessible surface: 455.202	Positive charged surface: 338.09	Negative charged surface: 111.574	Volume: 216.75
Hydrophobic surface: 373.51	Hydrophilic surface: 81.692

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.