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MMsINC code: MMs00703661

Type: Neutral
Formula: C₁₀H₁₅N₆S+

SMILES:

S(CC[NH2+]Cc1cccnc1)c1nnnn1C

InChI:

InChI=1/C10H14N6S/c1-16-10(13-14-15-16)17-6-5-12-8-9-3-2-4-11-7-9/h2-4,7,12H,5-6,8H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.3467 kcal/mol

Physical Properties
Molecular Weight: 251.338 g/mol	logS: -1.10492	SlogP: 0.0864	Reactive groups: 0

Topological Properties
Globularity: 0.0436846	Sterimol/B1: 2.96773	Sterimol/B2: 3.1482	Sterimol/B3: 3.63246
Sterimol/B4: 4.84169	Sterimol/L: 17.1544

Surface and Volume Properties
Accessible surface: 498.665	Positive charged surface: 336.218	Negative charged surface: 127.142	Volume: 239.125
Hydrophobic surface: 364.596	Hydrophilic surface: 134.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 1
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

MMs00703662
CHEMBRIDGE-ZINC02181795