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PUBCHEM-ZINC05640986 |
MMsINC code: MMs03332344 |
Type: Neutral Formula: C18H28N6O3S
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Potential Energy Epot(MMFF94)=64.2085 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 408.527 g/mol | logS: -3.89987 | SlogP: -0.4382 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.186354 | Sterimol/B1: 2.09519 | Sterimol/B2: 5.73539 | Sterimol/B3: 7.06551 | |||
Sterimol/B4: 8.79927 | Sterimol/L: 17.2368 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 738.674 | Positive charged surface: 484.858 | Negative charged surface: 253.816 | Volume: 387.875 | |||
Hydrophobic surface: 410.731 | Hydrophilic surface: 327.943 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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