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AURORAFEINCHEMIE-ZINC06579205 |
MMsINC code: MMs00477085 |
Type: Neutral Formula: C22H23N3O5
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Potential Energy Epot(MMFF94)=61.6725 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 409.442 g/mol | logS: -2.82474 | SlogP: 1.31937 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.123138 | Sterimol/B1: 2.0138 | Sterimol/B2: 3.56239 | Sterimol/B3: 5.61455 | |||
Sterimol/B4: 11.0552 | Sterimol/L: 15.7858 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 685.035 | Positive charged surface: 444.379 | Negative charged surface: 236.69 | Volume: 377.875 | |||
Hydrophobic surface: 484.528 | Hydrophilic surface: 200.507 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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