Type: Neutral
Formula: C18H26N2O7
SMILES: |
O(C(=O)C)C1C=CC(=O)CC1C(NC(=O)C(NC(=O)C)C)C(OC(=O)C)C |
InChI: |
InChI=1/C18H26N2O7/c1-9(19-11(3)21)18(25)20-17(10(2)26-12(4)22)15-8-14(24)6-7-16(15)27-13(5)23/h6-7,9-10,15-17H,8H2,1-5H3,(H,19,21)(H,20,25)/t9-,10+,15-,16+,17-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 382.413 g/mol | logS: -2.37278 | SlogP: 0.0243 | Reactive groups: 1 |
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Topological Properties | | | |
Globularity: 0.123902 | Sterimol/B1: 2.6715 | Sterimol/B2: 2.69435 | Sterimol/B3: 5.23859 |
Sterimol/B4: 9.52459 | Sterimol/L: 15.0506 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 587.154 | Positive charged surface: 341.492 | Negative charged surface: 245.662 | Volume: 352.125 |
Hydrophobic surface: 388.01 | Hydrophilic surface: 199.144 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 5 | | | |
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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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Ions/Tautomers related molecules: no related molecules available. | | | |