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AURORAFEINCHEMIE-ZINC01323233 |
MMsINC code: MMs00448376 |
Type: Ionized Formula: C26H32N3O2+
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Potential Energy Epot(MMFF94)=66.0076 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 418.561 g/mol | logS: -3.95343 | SlogP: 1.96424 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.16318 | Sterimol/B1: 2.50475 | Sterimol/B2: 3.32653 | Sterimol/B3: 6.03266 | |||
Sterimol/B4: 8.87568 | Sterimol/L: 15.3904 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 675.777 | Positive charged surface: 498.586 | Negative charged surface: 172.564 | Volume: 423 | |||
Hydrophobic surface: 614.49 | Hydrophilic surface: 61.287 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 1 | |||
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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