Molecular Properties | |
SMILES: | COC(=O)CCc1nocc1CNC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 534.17 |
Fraction sp3: | 0.29 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 115.58 |
cLogP: | 4.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Ester
MAT-POS-61f37a1a-11
1.000
MAT-POS-e6dd326d-10
0.693
EDJ-MED-15e90dfc-3
0.664
EDJ-MED-424a8a89-1
0.664
EDJ-MED-f893e2a1-8
0.664
EDJ-MED-15e90dfc-7
0.658
MAT-POS-e6dd326d-11
0.652
KAD-UNI-b13decd3-9
0.648
EDJ-MED-8c98ee63-1
0.647
KAD-UNI-b13decd3-10
0.646
KAD-UNI-b13decd3-12
0.643
MAT-POS-45b13633-2
0.643
MAT-POS-e6dd326d-2
0.643
MAT-POS-e6dd326d-13
0.636
KAD-UNI-cb0f2bbc-15
0.635
EDJ-MED-8c98ee63-2
0.634
MAT-POS-e6dd326d-6
0.632
EDJ-MED-15e90dfc-4
0.631
EDJ-MED-f893e2a1-1
0.631
EDJ-MED-15e90dfc-1
0.631
EDJ-MED-f893e2a1-3
0.630
MAT-POS-45b13633-5
0.629
EDJ-MED-424a8a89-2
0.629
KAD-UNI-b13decd3-3
0.621
MAT-POS-24589f88-12
0.621
EDJ-MED-f893e2a1-7
0.621
MAT-POS-e6dd326d-9
0.621
MAT-POS-e6dd326d-4
0.621
KAD-UNI-b13decd3-6
0.612
MAT-POS-5f1400cf-2
0.612
MAT-POS-7174c657-1
0.612
KAD-UNI-cb0f2bbc-23
0.612
MAT-POS-24589f88-13
0.612
RAL-THA-e002e396-11
0.612
KAD-UNI-cb0f2bbc-16
0.611
MAT-POS-61f37a1a-6
0.611
MAT-POS-e6dd326d-12
0.610
EDJ-MED-f893e2a1-10
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EDJ-MED-f893e2a1-4
0.610
MAT-POS-61f37a1a-9
0.609
KAD-UNI-cb0f2bbc-18
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KAD-UNI-cb0f2bbc-9
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MAT-POS-a3f7f96a-9
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KAD-UNI-b13decd3-4
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MAT-POS-7174c657-4
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MAT-POS-24589f88-9
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MAT-POS-e6dd326d-7
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EDG-MED-70ae9412-2
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EDJ-MED-4c7486ba-1
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EDJ-MED-4c7486ba-4
0.603
MAT-POS-e6dd326d-5
0.600
EDJ-MED-40433386-5
0.597
MAT-POS-e6dd326d-8
0.597
KAD-UNI-cb0f2bbc-2
0.595
EDJ-MED-15e90dfc-6
0.595
EDJ-MED-f893e2a1-6
0.595
EDJ-MED-40433386-10
0.595
RAL-THA-58fba2bc-3
0.595
EDG-MED-971238d3-3
0.595
KAD-UNI-b13decd3-11
0.594
KAD-UNI-b13decd3-7
0.594
KAD-UNI-cb0f2bbc-5
0.593
MAT-POS-24589f88-7
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EDJ-MED-f893e2a1-2
0.592
MAT-POS-45b13633-1
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MAT-POS-e6dd326d-1
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EDG-MED-971238d3-5
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MAT-POS-2bb0cf2b-1
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MAT-POS-e6dd326d-3
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MAT-POS-45b13633-3
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KAD-UNI-cb0f2bbc-11
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MAT-POS-a3f7f96a-7
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EDJ-MED-28ec730d-2
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EDJ-MED-40433386-4
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KAD-UNI-cb0f2bbc-6
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KAD-UNI-cb0f2bbc-19
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MAT-POS-24589f88-8
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MAT-POS-a3f7f96a-8
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RAL-THA-e002e396-1
0.585
RAL-THA-e002e396-2
0.585
KAD-UNI-cb0f2bbc-14
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MAT-POS-61f37a1a-10
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KAD-UNI-cb0f2bbc-10
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MAT-POS-61f37a1a-1
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KAD-UNI-cb0f2bbc-22
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MAT-POS-61f37a1a-3
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EDG-MED-971238d3-2
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MAT-POS-9db1e783-2
0.583
EDJ-MED-f893e2a1-5
0.582
DAR-DIA-ecdbc7dd-16
0.582
MAT-POS-45b13633-4
0.581
RAL-THA-58fba2bc-1
0.581
EDG-MED-971238d3-9
0.581
JAG-UCB-706446eb-3
0.581
EDG-MED-971238d3-6
0.581
EDG-MED-971238d3-10
0.581
EDJ-MED-4c7486ba-3
0.578
EDJ-MED-4c7486ba-6
0.578
EDJ-MED-4c7486ba-9
0.576
MAT-POS-3b97339c-1
0.576