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ANALYTICONDISCOVERY-ZINC05433686 |
MMsINC code: MMs00037497 |
Type: Neutral Formula: C21H28N6O4S
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Potential Energy Epot(MMFF94)=152.752 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 460.559 g/mol | logS: -3.0483 | SlogP: -0.2114 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.064202 | Sterimol/B1: 3.04101 | Sterimol/B2: 4.33524 | Sterimol/B3: 4.60846 | |||
Sterimol/B4: 9.67893 | Sterimol/L: 18.0369 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 720.241 | Positive charged surface: 490.633 | Negative charged surface: 229.608 | Volume: 415.125 | |||
Hydrophobic surface: 504.848 | Hydrophilic surface: 215.393 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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