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ASINEX-ZINC00835123 |
MMsINC code: MMs00186437 |
Type: Neutral Formula: C20H23N3O5S
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Potential Energy Epot(MMFF94)=96.927 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 417.486 g/mol | logS: -5.55624 | SlogP: 3.239 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.049844 | Sterimol/B1: 2.216 | Sterimol/B2: 3.05285 | Sterimol/B3: 4.94121 | |||
Sterimol/B4: 10.0676 | Sterimol/L: 17.1427 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 644.066 | Positive charged surface: 353.665 | Negative charged surface: 290.401 | Volume: 371 | |||
Hydrophobic surface: 487.68 | Hydrophilic surface: 156.386 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
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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