Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccc(CO)cc12 |
| MW: | 326.08 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 62.22 |
| cLogP: | 3.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-08-25 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
MAT-POS-90fd5f68-39
0.740
RUB-POS-1325a9ea-4
0.694
MAT-POS-90fd5f68-37
0.685
MAT-POS-90fd5f68-19
0.676
EDJ-MED-00c1612e-1
0.676
PET-UNK-8df914d1-1
0.676
MAT-POS-90fd5f68-25
0.667
PET-UNK-d899bab6-1
0.667
MAT-POS-90fd5f68-22
0.667
MAT-POS-90fd5f68-29
0.658
MAT-POS-90fd5f68-20
0.658
ADA-UCB-6c2cb422-1
0.648
MAT-POS-f7918075-5
0.644
MAT-POS-90fd5f68-27
0.641
MAT-POS-90fd5f68-35
0.641
MAT-POS-90fd5f68-21
0.641
PET-UNK-7fb4f80a-2
0.633
MAT-POS-90fd5f68-24
0.633
MAT-POS-90fd5f68-30
0.633
MAT-POS-90fd5f68-36
0.625
MAT-POS-c20a539d-2
0.618
MAT-POS-90fd5f68-23
0.617
MAT-POS-90fd5f68-28
0.617
MAT-POS-c20a539d-7
0.617
MAT-POS-90fd5f68-26
0.610
MAT-POS-90fd5f68-31
0.595
MAT-POS-bb423b95-1
0.595
PET-UNK-d899bab6-2
0.588
MAT-POS-29385cc1-1
0.580
PET-UNK-b38839dc-1
0.580
MAT-POS-bb423b95-8
0.579
PET-UNK-b1ef24dc-3
0.579
PET-UNK-f4e47ebd-1
0.575
PET-UNK-d899bab6-3
0.575
PET-UNK-b38839dc-2
0.575
MAT-POS-90fd5f68-33
0.575
MAK-UNK-ffc90da7-6
0.573
JIN-POS-6dc588a4-11
0.571
MAT-POS-29385cc1-2
0.568
MAT-POS-29385cc1-3
0.564
MAT-POS-c20a539d-6
0.564
MAT-POS-90fd5f68-4
0.562
MAT-POS-c20a539d-3
0.561
MAT-POS-90fd5f68-38
0.557
MAT-POS-90fd5f68-32
0.556
MAT-POS-90fd5f68-41
0.556
MAT-POS-90fd5f68-1
0.550
PET-UNK-c6bcc80b-7
0.548
PET-UNK-7fb4f80a-4
0.547
PET-UNK-7f7e354d-7
0.545
MAT-POS-c20a539d-1
0.543
MAT-POS-c20a539d-5
0.543
MAT-POS-c20a539d-4
0.543
PET-UNK-6314f867-2
0.543
MAT-POS-90fd5f68-7
0.543
MAT-POS-c0609ef7-1
0.543
EDJ-MED-c5ca5386-1
0.538
MAT-POS-90fd5f68-34
0.538
PET-UNK-f4e47ebd-2
0.537
MAT-POS-90fd5f68-11
0.537
MAT-POS-90fd5f68-12
0.536
PET-UNK-7fb4f80a-3
0.535
MAT-POS-bb423b95-9
0.532
MIC-UNK-7574fcc6-1
0.532
MAT-POS-90fd5f68-6
0.530
MAT-POS-90fd5f68-2
0.530
JIN-POS-6dc588a4-13
0.526
JIN-POS-6dc588a4-22
0.526
RUB-POS-1325a9ea-13
0.526
MAT-POS-90fd5f68-17
0.524
MAT-POS-c20a539d-8
0.524
MIC-UNK-9dc9fcd1-1
0.524
MAT-POS-90fd5f68-3
0.524
MAT-POS-90fd5f68-9
0.524
RUB-POS-1325a9ea-5
0.519
JIN-POS-6dc588a4-14
0.519
JIN-POS-6dc588a4-12
0.519
PET-UNK-b1ef24dc-4
0.519
MAT-POS-29385cc1-4
0.519
MIC-UNK-f2576da4-1
0.519
JAN-GHE-5a013bed-10
0.514
PET-UNK-8df914d1-3
0.514
MIC-UNK-50cce87d-2
0.513
EDJ-MED-6ab52e52-1
0.513
MIC-UNK-51049f1a-6
0.513
MIC-UNK-08cd9c58-1
0.512
MAT-POS-f7918075-3
0.512
RUB-POS-1325a9ea-15
0.512
MAT-POS-8feb6e35-2
0.512
MAT-POS-90fd5f68-10
0.512
PET-UNK-7fb4f80a-1
0.512
MAT-POS-90fd5f68-18
0.512
RUB-POS-1325a9ea-12
0.506
PET-UNK-e274cad4-6
0.506
PET-UNK-b1ef24dc-2
0.506
PET-UNK-b1ef24dc-1
0.506
PET-UNK-e274cad4-1
0.506
JIN-POS-6dc588a4-18
0.506
RUB-POS-1325a9ea-14
0.506
EDJ-MED-c5ca5386-2
0.506