Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC(C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 333.413 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 1.7432 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
Long aliphatic chain
Hetero_hetero
ADA-UNI-f8e79267-5
0.734
DRE-WAB-ae4a693c-1
0.687
BEN-DND-362d364a-12
0.687
PET-SGC-d0156db4-1
0.687
PET-SGC-b0f8bd49-1
0.687
ADA-UNI-f8e79267-8
0.685
ADA-UNI-f8e79267-1
0.581
ZAC-WAB-3baddbb3-1
0.500
ZAC-WAB-d55a3c2e-2
0.500
ADA-UNI-f8e79267-11
0.494
TAM-UNI-c140e31a-10
0.487
ADA-UNI-f8e79267-4
0.487
ASH-UNK-40b46b30-3
0.468
ADA-UNI-f8e79267-7
0.459
ASH-UNK-40b46b30-13
0.450
KEI-TRE-d5e2018a-81
0.449
WAR-XCH-6eb0722e-1
0.442
AUS-ARG-7cfdce8f-11
0.437
WAR-XCH-6eb0722e-5
0.419
DAN-RED-da448e80-1
0.415
MAR-TRE-2fd8122f-90
0.415
PED-UNI-8d53fd73-1
0.415
PED-UNI-5b7f1100-1
0.415
DRE-WAB-eb790b7a-1
0.415
WAR-XCH-6eb0722e-4
0.414
KEI-TRE-d5e2018a-55
0.410
WAR-XCH-6eb0722e-3
0.407
ADA-UNI-f8e79267-3
0.405
MAK-UNK-c749d764-7
0.393
PET-SGC-d0156db4-2
0.393
MAR-TRE-3e4e6814-93
0.392
KEI-TRE-d5e2018a-42
0.390
WAR-XCH-6eb0722e-6
0.389
JOH-IMS-62aeb97d-2
0.387
WAR-XCH-6eb0722e-2
0.385
KEI-TRE-d5e2018a-43
0.384
KEI-TRE-d5e2018a-40
0.381
KEI-TRE-d5e2018a-69
0.381
MAK-UNK-b2c98f02-5
0.380
ADA-UNI-f8e79267-10
0.379
KEI-TRE-d5e2018a-17
0.378
KEI-TRE-d5e2018a-99
0.378
MAR-TRE-67513f76-32
0.378
MAR-TRE-2fd8122f-97
0.378
AAR-POS-d2a4d1df-11
0.377
MAK-UNK-a7b37c5e-2
0.377
SAN-PRS-52b81272-2
0.375
SAN-PRS-52b81272-3
0.375
MAD-FNM-74857450-1
0.374
JOH-IMS-62aeb97d-5
0.373
MAK-UNK-ca11b4f7-1
0.373
KEI-TRE-d5e2018a-24
0.372
MAK-UNK-27459e11-13
0.371
SAD-SAT-689b7d5a-4
0.370
KEI-TRE-d5e2018a-27
0.369
MAR-TRE-7f7bb9f0-16
0.369
MAR-TRE-2fd8122f-79
0.367
LON-WEI-b2874fec-25
0.367
MAR-TRE-f6f5f473-31
0.367
KEI-TRE-d5e2018a-25
0.365
KEI-TRE-d5e2018a-29
0.365
MED-UNK-e6e8ef8a-1
0.364
KEI-TRE-d5e2018a-76
0.364
MAR-TRE-67513f76-81
0.364
ANT-DIA-3c79be55-4
0.362
AND-WAB-6ed53ced-1
0.361
WIL-UNI-5578df48-2
0.361
BAR-COM-5694a99d-4
0.360
KEI-TRE-d5e2018a-16
0.360
MAK-UNK-ca11b4f7-3
0.358
WIL-UNI-5578df48-3
0.358
KEI-TRE-d5e2018a-19
0.356
MAR-TRE-2fd8122f-56
0.356
BEN-DND-362d364a-10
0.355
MAR-TRE-7f7bb9f0-49
0.354
BEN-DND-93268d01-3
0.354
DUN-NEW-f8ce3686-4
0.354
MAR-TRE-2fd8122f-69
0.354
MAR-TRE-04c86cea-97
0.354
MAK-UNK-c749d764-9
0.352
BEN-DND-03406596-4
0.351
BEN-DND-03406596-12
0.351
BEN-DND-03406596-11
0.351
BEN-DND-93268d01-1
0.351
DAN-RED-da448e80-3
0.351
MAK-UNK-a7b37c5e-1
0.351
WIL-UNI-5578df48-1
0.350
MAR-TRE-67513f76-93
0.350
CHR-SOS-f7373dd1-1
0.349
MAK-UNK-f0bfc2e0-1
0.349
KEI-TRE-d5e2018a-80
0.348
KEI-TRE-d5e2018a-34
0.348
KEI-TRE-d5e2018a-47
0.348
KEI-TRE-d5e2018a-82
0.348
MAR-TRE-2fd8122f-73
0.348
MED-UNK-e6e8ef8a-7
0.346
DAR-DIA-842b4336-11
0.346
MAK-UNK-f0bfc2e0-2
0.345
KEI-TRE-d5e2018a-56
0.344
ALE-HEI-f28a35b5-14
0.342