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SIAL-ZINC04544306 |
MMsINC code: MMs03921772 |
Type: Neutral Formula: C20H32O3
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Potential Energy Epot(MMFF94)=22.2668 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 320.473 g/mol | logS: -5.26908 | SlogP: 5.4279 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0385492 | Sterimol/B1: 2.37943 | Sterimol/B2: 3.15182 | Sterimol/B3: 4.03488 | |||
Sterimol/B4: 9.91348 | Sterimol/L: 20.6892 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 738.544 | Positive charged surface: 541.872 | Negative charged surface: 196.672 | Volume: 359.625 | |||
Hydrophobic surface: 536.904 | Hydrophilic surface: 201.64 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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: 1 | Oprea's lead like rule: 0 |
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