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PUBCHEM-ZINC03763603 |
MMsINC code: MMs03074185 |
Type: Neutral Formula: C22H26ClNO4
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Potential Energy Epot(MMFF94)=80.3298 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 403.906 g/mol | logS: -4.49119 | SlogP: 4.7288 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.153364 | Sterimol/B1: 3.22004 | Sterimol/B2: 4.4647 | Sterimol/B3: 6.35525 | |||
Sterimol/B4: 7.56341 | Sterimol/L: 17.5102 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 667.251 | Positive charged surface: 437.336 | Negative charged surface: 229.916 | Volume: 383.875 | |||
Hydrophobic surface: 546.972 | Hydrophilic surface: 120.279 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | 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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