Molecular Properties | |
SMILES: | C=CC(=O)N(c1ccc2ncsc2c1)C(C(=O)Nc1ccc(OC)cc1)c1cccnc1 |
MW: | 444.516 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 84.42 |
cLogP: | 4.5989 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z4439011543 |
Order Status | |
Shipped: | 2020-04-09 |
AAR-POS-d2a4d1df-1
LON-WEI-b8d98729-9
0.822
LON-WEI-b8d98729-44
0.804
LON-WEI-b8d98729-1
0.747
LON-WEI-b8d98729-38
0.696
LON-WEI-b8d98729-31
0.691
LON-WEI-b8d98729-48
0.654
BRU-LEF-973da26b-1
0.638
LON-WEI-8f408cad-10
0.636
LON-WEI-b8d98729-12
0.629
LON-WEI-d1c9908a-7
0.625
LON-WEI-b8d98729-47
0.619
LON-WEI-b8d98729-27
0.612
RIT-AID-af4ac3d4-1
0.612
LON-WEI-d1c9908a-5
0.600
BRU-LEF-e1854a6f-1
0.582
RAL-MED-9a5eb9cb-6
0.554
RAL-MED-9a5eb9cb-14
0.531
LON-WEI-b8d98729-14
0.524
RAL-MED-9a5eb9cb-4
0.509
LON-WEI-b8d98729-11
0.509
NIM-NMI-8bb27a2b-25
0.509
LON-WEI-adc59df6-13
0.504
LON-WEI-b8d98729-22
0.500
LON-WEI-b8d98729-35
0.500
LON-WEI-adc59df6-12
0.495
LON-WEI-adc59df6-37
0.495
RAL-MED-9a5eb9cb-8
0.495
LON-WEI-d1c9908a-11
0.491
LON-WEI-adc59df6-41
0.490
RAL-MED-9a5eb9cb-5
0.486
LON-WEI-b8d98729-24
0.486
LON-WEI-b8d98729-33
0.481
LON-WEI-b8d98729-30
0.473
LON-WEI-d1c9908a-2
0.472
JAN-GHE-d851b096-4
0.472
RAL-MED-9a5eb9cb-1
0.467
LON-WEI-b8d98729-28
0.464
LON-WEI-adc59df6-45
0.464
RAL-MED-9a5eb9cb-9
0.462
LON-WEI-b8d98729-26
0.460
LON-WEI-d1c9908a-3
0.459
JAN-GHE-d851b096-9
0.457
LON-WEI-b8d98729-40
0.455
NIM-NMI-8bb27a2b-26
0.455
LON-WEI-b8d98729-37
0.451
LON-WEI-b8d98729-8
0.451
LON-WEI-adc59df6-5
0.445
NIM-NMI-8bb27a2b-8
0.443
LON-WEI-d1c9908a-4
0.443
RAL-MED-9a5eb9cb-3
0.443
RAL-MED-9a5eb9cb-7
0.443
LON-WEI-adc59df6-24
0.442
ALP-POS-e980f4ea-24
0.439
LON-WEI-b8d98729-13
0.438
LON-WEI-adc59df6-18
0.436
LON-WEI-adc59df6-46
0.436
BRU-THA-92256091-51
0.435
LON-WEI-b8d98729-19
0.432
ALP-POS-ced8ea4d-24
0.432
LON-WEI-b8d98729-17
0.431
LON-WEI-adc59df6-79
0.430
LON-WEI-adc59df6-15
0.429
LON-WEI-d1c9908a-12
0.429
LON-WEI-b8d98729-16
0.427
LON-WEI-adc59df6-87
0.427
LON-WEI-adc59df6-38
0.426
LON-WEI-adc59df6-43
0.426
LON-WEI-adc59df6-4
0.426
LON-WEI-b8d98729-21
0.425
LON-WEI-adc59df6-84
0.422
LON-WEI-adc59df6-11
0.419
LON-WEI-adc59df6-42
0.417
LON-WEI-adc59df6-3
0.416
LON-WEI-adc59df6-68
0.414
LON-WEI-adc59df6-30
0.413
LON-WEI-adc59df6-73
0.411
LON-WEI-adc59df6-14
0.411
LON-WEI-d1c9908a-6
0.410
BRU-LEF-8bac3ce8-1
0.409
RAL-MED-9a5eb9cb-10
0.408
LON-WEI-adc59df6-44
0.406
LON-WEI-b8d98729-41
0.405
LON-WEI-adc59df6-35
0.404
LON-WEI-8f408cad-9
0.404
LON-WEI-adc59df6-33
0.404
JAN-GHE-d851b096-8
0.402
LON-WEI-b8d98729-42
0.402
LON-WEI-adc59df6-103
0.400
LON-WEI-adc59df6-65
0.398
LON-WEI-adc59df6-104
0.398
LON-WEI-b8d98729-10
0.398
NIM-NMI-8bb27a2b-22
0.396
LON-WEI-adc59df6-8
0.396
LON-WEI-b8d98729-7
0.396
NIM-NMI-8bb27a2b-9
0.395
LON-WEI-8f408cad-8
0.394
LON-WEI-adc59df6-88
0.393
LON-WEI-adc59df6-9
0.391
LON-WEI-adc59df6-26
0.391
NIM-NMI-8bb27a2b-19
0.391