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NCID-ZINC05922217 |
MMsINC code: MMs02511132 |
Type: Neutral Formula: C18H21N3O6
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Potential Energy Epot(MMFF94)=74.0646 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 375.381 g/mol | logS: -2.25881 | SlogP: 1.4499 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0533947 | Sterimol/B1: 3.27469 | Sterimol/B2: 3.79854 | Sterimol/B3: 4.81592 | |||
Sterimol/B4: 5.56324 | Sterimol/L: 18.7359 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 605.237 | Positive charged surface: 413.665 | Negative charged surface: 191.572 | Volume: 331.5 | |||
Hydrophobic surface: 439.791 | Hydrophilic surface: 165.446 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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