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PUBCHEM-ZINC05962739 |
MMsINC code: MMs03463005 |
Type: Ionized Formula: C19H27N2O5S-
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Potential Energy Epot(MMFF94)=51.2145 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 395.5 g/mol | logS: -5.50631 | SlogP: 1.9103 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0960501 | Sterimol/B1: 2.16366 | Sterimol/B2: 2.40997 | Sterimol/B3: 6.59633 | |||
Sterimol/B4: 9.06481 | Sterimol/L: 18.0661 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 692.363 | Positive charged surface: 418.034 | Negative charged surface: 274.329 | Volume: 382.25 | |||
Hydrophobic surface: 449.315 | Hydrophilic surface: 243.048 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | 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: 1 |
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