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NCID-ZINC05837627 |
MMsINC code: MMs02504911 |
Type: Neutral Formula: C28H31N3O4S
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Potential Energy Epot(MMFF94)=140.879 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 505.639 g/mol | logS: -8.51078 | SlogP: 5.71537 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0817644 | Sterimol/B1: 2.80288 | Sterimol/B2: 4.3689 | Sterimol/B3: 5.81741 | |||
Sterimol/B4: 9.14379 | Sterimol/L: 21.7999 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 806.364 | Positive charged surface: 439.759 | Negative charged surface: 366.605 | Volume: 486.125 | |||
Hydrophobic surface: 630.64 | Hydrophilic surface: 175.724 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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