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IBS-ZINC02136901 |
MMsINC code: MMs01794038 |
Type: Ionized Formula: C17H20N3O5-
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Potential Energy Epot(MMFF94)=36.1533 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 346.363 g/mol | logS: -4.1474 | SlogP: 0.3436 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.152395 | Sterimol/B1: 2.33576 | Sterimol/B2: 3.80651 | Sterimol/B3: 4.28162 | |||
Sterimol/B4: 9.61065 | Sterimol/L: 16.1685 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 581.706 | Positive charged surface: 330.077 | Negative charged surface: 251.628 | Volume: 320.5 | |||
Hydrophobic surface: 347.489 | Hydrophilic surface: 234.217 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 2 | 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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