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IFLAB-ZINC04518886 |
MMsINC code: MMs02058125 |
Type: Neutral Formula: C18H22N2O5S
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Potential Energy Epot(MMFF94)=60.7309 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 378.449 g/mol | logS: -4.43438 | SlogP: 1.9226 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0301641 | Sterimol/B1: 3.71135 | Sterimol/B2: 3.98669 | Sterimol/B3: 5.19306 | |||
Sterimol/B4: 5.27233 | Sterimol/L: 20.1065 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 649.89 | Positive charged surface: 392.25 | Negative charged surface: 257.641 | Volume: 345.125 | |||
Hydrophobic surface: 482.851 | Hydrophilic surface: 167.039 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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