MMsINC Database Search


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MMsINC code: MMs02473050

Type: Neutral
Formula: C₁₀H₁₄N₆O₂S

SMILES:

S(NC(n1c2c(nc1)N(C)C(=O)N(C)C2=O)=N)CC

InChI:

InChI=1/C10H14N6O2S/c1-4-19-13-9(11)16-5-12-7-6(16)8(17)15(3)10(18)14(7)2/h5H,4H2,1-3H3,(H2,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=9.94911 kcal/mol

Physical Properties
Molecular Weight: 282.328 g/mol	logS: -2.54863	SlogP: 0.56547	Reactive groups: 0

Topological Properties
Globularity: 0.0253157	Sterimol/B1: 2.08747	Sterimol/B2: 2.54645	Sterimol/B3: 3.26066
Sterimol/B4: 7.30743	Sterimol/L: 14.7414

Surface and Volume Properties
Accessible surface: 480.965	Positive charged surface: 357.875	Negative charged surface: 123.09	Volume: 245.125
Hydrophobic surface: 293.823	Hydrophilic surface: 187.142

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.