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PUBCHEM-ZINC04489429 |
MMsINC code: MMs03125704 |
Type: Ionized Formula: C26H40ClN2O3+
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Potential Energy Epot(MMFF94)=112.191 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 464.07 g/mol | logS: -6.94716 | SlogP: 4.7209 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0513873 | Sterimol/B1: 2.87013 | Sterimol/B2: 3.56754 | Sterimol/B3: 6.01721 | |||
Sterimol/B4: 7.04106 | Sterimol/L: 21.2473 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 787.408 | Positive charged surface: 585.305 | Negative charged surface: 202.103 | Volume: 471.25 | |||
Hydrophobic surface: 646.431 | Hydrophilic surface: 140.977 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 1 | |||
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: 0 |
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