Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)CN1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
| MW: | 408.14 |
| Fraction sp3: | 0.23 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 74.33 |
| cLogP: | 3.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-09-06 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
EDJ-MED-036ae2e9-6
0.831
EDJ-MED-2791eece-7
0.820
EDJ-MED-036ae2e9-5
0.806
EDJ-MED-2791eece-1
0.756
MAT-POS-fb82b63d-4
0.736
EDJ-MED-2791eece-3
0.723
EDJ-MED-2791eece-9
0.687
EDJ-MED-2791eece-12
0.677
MAT-POS-fb82b63d-3
0.670
EDJ-MED-487c5e9f-1
0.670
EDJ-MED-b774e9fe-1
0.656
EDJ-MED-2791eece-2
0.656
EDJ-MED-b774e9fe-2
0.649
EDJ-MED-2791eece-6
0.649
EDJ-MED-b774e9fe-3
0.646
EDJ-MED-2791eece-8
0.646
EDJ-MED-036ae2e9-3
0.646
EDJ-MED-036ae2e9-2
0.635
EDJ-MED-036ae2e9-1
0.632
EDJ-MED-2791eece-11
0.622
EDJ-MED-2791eece-10
0.612
EDJ-MED-2791eece-4
0.610
EDJ-MED-036ae2e9-10
0.610
EDJ-MED-036ae2e9-9
0.610
EDJ-MED-036ae2e9-7
0.604
EDJ-MED-036ae2e9-11
0.596
EDJ-MED-487c5e9f-9
0.594
ALP-POS-d054b76b-2
0.588
EDJ-MED-487c5e9f-10
0.587
EDJ-MED-036ae2e9-8
0.581
EDJ-MED-487c5e9f-4
0.581
EDJ-MED-487c5e9f-2
0.579
EDJ-MED-036ae2e9-4
0.577
EDJ-MED-036ae2e9-12
0.575
EDJ-MED-487c5e9f-5
0.575
EDJ-MED-487c5e9f-8
0.575
MAT-POS-8293a91a-4
0.574
MAT-POS-4223bc15-23
0.574
MAT-POS-8293a91a-5
0.574
EDJ-MED-487c5e9f-3
0.574
EDJ-MED-487c5e9f-7
0.571
EDJ-MED-487c5e9f-11
0.566
EDJ-MED-487c5e9f-6
0.561
MAT-POS-fb82b63d-1
0.546
DAR-DIA-4987d2cd-4
0.544
DAR-DIA-4987d2cd-3
0.538
RAL-THA-8416115c-10
0.538
EDJ-MED-487c5e9f-12
0.535
MIC-UNK-91acba05-4
0.531
ALP-POS-477dc5b7-1
0.531
MAT-POS-dd3ad2b5-4
0.520
MAT-POS-4223bc15-19
0.520
RAL-THA-6e4c80cf-1
0.520
MAT-POS-24589f88-3
0.520
MAT-POS-24589f88-2
0.520
MAT-POS-4223bc15-1
0.519
MAT-POS-dd3ad2b5-5
0.519
MAT-POS-4223bc15-6
0.519
CLI-TLC-3a13eaf2-1
0.519
MAT-POS-2e8b2191-7
0.519
MAT-POS-4223bc15-24
0.519
MAT-POS-dd3ad2b5-1
0.515
BEN-DND-f2e727cd-6
0.515
EDJ-MED-12c4873b-3
0.514
MIC-UNK-482af05e-2
0.514
RAL-THA-ee48ba5f-5
0.514
ALP-POS-d054b76b-4
0.514
EDJ-MED-c40d95bc-2
0.510
MAT-POS-4223bc15-21
0.510
MAT-POS-4223bc15-25
0.510
MAT-POS-acfe5bae-2
0.509
EDJ-MED-015fb6b4-2
0.509
MAT-POS-a54ce14d-2
0.509
MAT-POS-a54ce14d-3
0.509
RAL-THA-ee48ba5f-1
0.509
MAT-POS-4223bc15-29
0.509
EDJ-MED-fa7708b3-1
0.509
CLI-TLC-36f34aa2-1
0.509
MAT-POS-dd3ad2b5-2
0.505
PET-UNK-9b23ef84-2
0.505
EDJ-MED-e9a22d5d-1
0.505
MAT-POS-4223bc15-20
0.505
RAL-THA-6e4c80cf-2
0.505
MAT-POS-4223bc15-22
0.505
VLA-UNK-61877630-1
0.505
JOH-UNI-ededfdb6-1
0.505
MAT-UNK-f490e871-1
0.505
VLA-UNK-61877630-2
0.505
MAT-POS-4223bc15-28
0.500
ALP-UNI-c3ef0aba-2
0.500
EDJ-MED-c82a5324-1
0.500
BEN-DND-f2e727cd-4
0.500
MAT-POS-4223bc15-2
0.500
MAT-POS-4223bc15-27
0.500
PET-UNK-d61f3ea6-2
0.500
MIC-UNK-54748b58-1
0.500
MAT-POS-5cd9ea36-15
0.500
DAR-DIA-70d163b2-1
0.500
MAT-POS-5cd9ea36-17
0.500
DAR-DIA-9f765dc6-7
0.500