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NCID-ZINC05328386 |
MMsINC code: MMs02451505 |
Type: Neutral Formula: C29H42N6O6
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Potential Energy Epot(MMFF94)=163.006 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 570.691 g/mol | logS: -5.74291 | SlogP: 1.72707 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.161776 | Sterimol/B1: 2.60566 | Sterimol/B2: 3.19707 | Sterimol/B3: 7.89642 | |||
Sterimol/B4: 10.3495 | Sterimol/L: 19.3477 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 864.429 | Positive charged surface: 582.536 | Negative charged surface: 279.026 | Volume: 547 | |||
Hydrophobic surface: 538.402 | Hydrophilic surface: 326.027 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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