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PUBCHEM-ZINC04823383 |
MMsINC code: MMs03175428 |
Type: Neutral Formula: C17H19N5O3S
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Potential Energy Epot(MMFF94)=98.6643 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 373.437 g/mol | logS: -3.925 | SlogP: 1.323 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0577269 | Sterimol/B1: 3.33626 | Sterimol/B2: 3.54737 | Sterimol/B3: 3.9785 | |||
Sterimol/B4: 7.595 | Sterimol/L: 18.9819 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 617.043 | Positive charged surface: 409.503 | Negative charged surface: 207.54 | Volume: 332 | |||
Hydrophobic surface: 337.817 | Hydrophilic surface: 279.226 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 6 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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