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PUBCHEM-ZINC00666023 |
MMsINC code: MMs02723418 |
Type: Neutral Formula: C21H26N2O4S
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Potential Energy Epot(MMFF94)=35.5965 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 402.515 g/mol | logS: -3.7753 | SlogP: 2.65927 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0272762 | Sterimol/B1: 2.902 | Sterimol/B2: 3.47762 | Sterimol/B3: 3.71347 | |||
Sterimol/B4: 6.36793 | Sterimol/L: 23.7443 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 728.005 | Positive charged surface: 457.539 | Negative charged surface: 270.465 | Volume: 381.5 | |||
Hydrophobic surface: 587.14 | Hydrophilic surface: 140.865 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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