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AURORAFEINCHEMIE-ZINC04084458 |
MMsINC code: MMs00467800 |
Type: Neutral Formula: C23H27N3O3
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Potential Energy Epot(MMFF94)=119.606 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 393.487 g/mol | logS: -3.91906 | SlogP: 2.54967 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0564595 | Sterimol/B1: 2.7541 | Sterimol/B2: 3.79262 | Sterimol/B3: 5.08888 | |||
Sterimol/B4: 7.16042 | Sterimol/L: 19.9568 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 691.103 | Positive charged surface: 488.381 | Negative charged surface: 202.722 | Volume: 388.75 | |||
Hydrophobic surface: 602.933 | Hydrophilic surface: 88.17 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | 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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