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NCID-ZINC01674525 |
MMsINC code: MMs02310071 |
Type: Neutral Formula: C37H56O2
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Potential Energy Epot(MMFF94)=195.225 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 532.853 g/mol | logS: -13.1361 | SlogP: 10.4237 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.165971 | Sterimol/B1: 4.72803 | Sterimol/B2: 5.19051 | Sterimol/B3: 5.46553 | |||
Sterimol/B4: 8.38142 | Sterimol/L: 18.4167 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 852.718 | Positive charged surface: 577.711 | Negative charged surface: 275.007 | Volume: 586 | |||
Hydrophobic surface: 699.793 | Hydrophilic surface: 152.925 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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