MMsINC Database Search


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MMsINC code: MMs00345774

Type: Neutral
Formula: C₁₀H₁₃N₅O₂S₂

SMILES:

S(C)c1nnnn1-c1ccc(S(=O)(=O)N(C)C)cc1

InChI:

InChI=1/C10H13N5O2S2/c1-14(2)19(16,17)9-6-4-8(5-7-9)15-10(18-3)11-12-13-15/h4-7H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1443 kcal/mol

Physical Properties
Molecular Weight: 299.379 g/mol	logS: -2.59003	SlogP: 0.6345	Reactive groups: 0

Topological Properties
Globularity: 0.0603397	Sterimol/B1: 2.26469	Sterimol/B2: 2.40019	Sterimol/B3: 4.92999
Sterimol/B4: 5.80939	Sterimol/L: 14.3888

Surface and Volume Properties
Accessible surface: 488.564	Positive charged surface: 256.305	Negative charged surface: 198.825	Volume: 253.125
Hydrophobic surface: 355.73	Hydrophilic surface: 132.834

Pharmacophoric Properties
Hydrogen bond donors: 0	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.