Search | Help | MolPaint | Roadmap | Credits | Feedback |
AURORAFEINCHEMIE-ZINC03849767 |
MMsINC code: MMs00457104 |
Type: Ionized Formula: C21H29O3-
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=90.5534 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 329.46 g/mol | logS: -5.50165 | SlogP: 3.2745 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.1236 | Sterimol/B1: 2.14015 | Sterimol/B2: 3.93536 | Sterimol/B3: 4.62277 | |||
Sterimol/B4: 5.40847 | Sterimol/L: 15.4672 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 543.781 | Positive charged surface: 361.988 | Negative charged surface: 181.792 | Volume: 337.75 | |||
Hydrophobic surface: 385.943 | Hydrophilic surface: 157.838 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 1 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|