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PUBCHEM-ZINC03027768 |
MMsINC code: MMs02982376 |
Type: Neutral Formula: C16H19N3O5S3
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Potential Energy Epot(MMFF94)=94.2059 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 429.542 g/mol | logS: -3.55714 | SlogP: 1.2457 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0734262 | Sterimol/B1: 3.59421 | Sterimol/B2: 3.72939 | Sterimol/B3: 5.18682 | |||
Sterimol/B4: 6.92437 | Sterimol/L: 17.1096 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 649.87 | Positive charged surface: 355.711 | Negative charged surface: 294.16 | Volume: 354.375 | |||
Hydrophobic surface: 525.258 | Hydrophilic surface: 124.612 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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