MMsINC Database Search


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MMsINC code: MMs00098235

Type: Neutral
Formula: C₁₀H₁₀N₆

SMILES:

[nH]1c2c(cc(cc2)C)c2nnc(nc12)NN

InChI:

InChI=1/C10H10N6/c1-5-2-3-7-6(4-5)8-9(12-7)13-10(14-11)16-15-8/h2-4H,11H2,1H3,(H2,12,13,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6982 kcal/mol

Physical Properties
Molecular Weight: 214.232 g/mol	logS: -3.92691	SlogP: 1.10012	Reactive groups: 0

Topological Properties
Globularity: 0.00653734	Sterimol/B1: 2.15045	Sterimol/B2: 2.41877	Sterimol/B3: 2.51372
Sterimol/B4: 5.73831	Sterimol/L: 14.3943

Surface and Volume Properties
Accessible surface: 416.584	Positive charged surface: 254.299	Negative charged surface: 156.657	Volume: 194.125
Hydrophobic surface: 220.257	Hydrophilic surface: 196.327

Pharmacophoric Properties
Hydrogen bond donors: 4	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.