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NCID-ZINC05004632 |
MMsINC code: MMs02426857 |
Type: Neutral Formula: C13H20N4O5S2
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Potential Energy Epot(MMFF94)=128.229 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 376.458 g/mol | logS: -2.88231 | SlogP: -1.1019 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.118987 | Sterimol/B1: 2.11551 | Sterimol/B2: 3.94944 | Sterimol/B3: 5.05965 | |||
Sterimol/B4: 9.10234 | Sterimol/L: 17.0509 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 586.071 | Positive charged surface: 402.716 | Negative charged surface: 183.355 | Volume: 320.25 | |||
Hydrophobic surface: 261.843 | Hydrophilic surface: 324.228 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
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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