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IBS-ZINC02101211 |
MMsINC code: MMs01785086 |
Type: Neutral Formula: C18H20N2O3
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Potential Energy Epot(MMFF94)=35.9142 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 312.369 g/mol | logS: -1.80968 | SlogP: 2.49357 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.097386 | Sterimol/B1: 2.56821 | Sterimol/B2: 3.94707 | Sterimol/B3: 4.21937 | |||
Sterimol/B4: 6.87341 | Sterimol/L: 15.0403 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 555.459 | Positive charged surface: 366.073 | Negative charged surface: 185.348 | Volume: 301.25 | |||
Hydrophobic surface: 384.461 | Hydrophilic surface: 170.998 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 3 | Acid groups: 0 | 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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