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NCID-ZINC05371220 |
MMsINC code: MMs02455941 |
Type: Neutral Formula: C21H25Cl2N7O4
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Potential Energy Epot(MMFF94)=202.273 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 510.382 g/mol | logS: -4.18482 | SlogP: 1.2633 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0873221 | Sterimol/B1: 4.91481 | Sterimol/B2: 5.16128 | Sterimol/B3: 5.27718 | |||
Sterimol/B4: 7.10597 | Sterimol/L: 18.6274 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 782.814 | Positive charged surface: 495.944 | Negative charged surface: 281.896 | Volume: 440 | |||
Hydrophobic surface: 369.54 | Hydrophilic surface: 413.274 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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