Molecular Properties | |
SMILES: | CS(=O)(=O)NCC(CC(=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: | ✗ |
Long aliphatic chain
Hetero_hetero
PET-SGC-d5b502b1-1
0.608
WIL-WAB-6ef46ddb-1
0.608
AUS-ARG-7cfdce8f-11
0.569
PET-SGC-b0f8bd49-1
0.548
PET-SGC-d0156db4-1
0.548
DRE-WAB-ae4a693c-1
0.548
BEN-DND-362d364a-12
0.548
ADA-UNI-f8e79267-1
0.500
MAK-UNK-27459e11-6
0.500
ADA-UNI-f8e79267-2
0.487
MAR-TRE-74c6519b-47
0.447
JOH-IMS-62aeb97d-5
0.438
MAR-TRE-9c797165-52
0.436
SAN-PRS-52b81272-2
0.435
ASH-UNK-40b46b30-13
0.432
ASH-UNK-40b46b30-3
0.430
MAR-TRE-67513f76-81
0.429
MAR-TRE-9c797165-8
0.420
CHR-SOS-f7373dd1-1
0.418
MAR-TRE-d0525fbf-91
0.416
MAK-UNK-ca11b4f7-1
0.415
ADA-UNI-f8e79267-4
0.412
MAR-TRE-2fd8122f-47
0.412
CHR-SOS-f7373dd1-4
0.410
PET-SGC-d0156db4-2
0.410
MAR-TRE-7f7bb9f0-49
0.408
MAR-TRE-04c86cea-97
0.405
ADA-UNI-f8e79267-5
0.405
ADA-UNI-f8e79267-3
0.405
KEI-TRE-d5e2018a-81
0.395
MAK-UNK-a7b37c5e-2
0.395
ADA-UNI-f8e79267-7
0.393
SAD-SAT-689b7d5a-4
0.388
MAK-UNK-a7b37c5e-1
0.387
MAR-TRE-67513f76-93
0.385
ADA-UNI-f8e79267-8
0.382
DAR-DIA-842b4336-12
0.382
MAR-TRE-2fd8122f-2
0.381
ALE-HEI-f28a35b5-14
0.380
MAR-TRE-2fd8122f-78
0.380
CHR-SOS-70e4c98a-6
0.380
AAR-POS-d2a4d1df-11
0.377
DAR-DIA-842b4336-16
0.377
MAK-UNK-f0bfc2e0-2
0.376
KEI-TRE-d5e2018a-89
0.376
MAD-FNM-74857450-1
0.374
MAR-TRE-2fd8122f-37
0.373
MAR-TRE-2fd8122f-45
0.372
MAK-UNK-c749d764-27
0.372
CHR-SOS-70e4c98a-8
0.370
SAD-SAT-24589cd1-4
0.370
BEN-DND-362d364a-10
0.370
MAK-UNK-c749d764-17
0.368
DUN-NEW-f8ce3686-4
0.368
MAR-TRE-4b834d9a-16
0.368
KEI-TRE-d5e2018a-7
0.368
CHA-MCP-85291e1d-5
0.366
CHR-SOS-59746812-1
0.366
MAK-UNK-a7b37c5e-4
0.365
MAR-TRE-2fd8122f-90
0.365
DRE-WAB-eb790b7a-1
0.365
DAN-RED-da448e80-1
0.365
PED-UNI-5b7f1100-1
0.365
PED-UNI-8d53fd73-1
0.365
MED-UNK-e6e8ef8a-6
0.364
ZAC-WAB-d55a3c2e-2
0.364
ZAC-WAB-3baddbb3-1
0.364
DAR-DIA-842b4336-13
0.364
ALE-HEI-f28a35b5-5
0.364
DAR-DIA-842b4336-11
0.364
MAR-TRE-3e4e6814-6
0.364
MAK-UNK-b2c98f02-6
0.363
ANT-DIA-3c79be55-4
0.362
CHR-SOS-f7373dd1-2
0.362
MAR-TRE-2fd8122f-60
0.361
CHR-SOS-59746812-5
0.361
CHR-SOS-70e4c98a-3
0.361
WIL-UNI-5578df48-2
0.361
MAR-TRE-d0525fbf-64
0.360
MAK-UNK-a7b37c5e-5
0.360
KEI-TRE-d5e2018a-4
0.360
MED-UNK-e6e8ef8a-3
0.359
MAK-UNK-ca11b4f7-3
0.358
MAR-TRE-67513f76-73
0.358
CHA-MCP-85291e1d-4
0.357
MAK-UNK-c749d764-23
0.357
MAR-TRE-3e4e6814-67
0.357
MAR-TRE-67513f76-92
0.356
SAN-PRS-52b81272-3
0.356
DAR-DIA-842b4336-10
0.355
MAK-UNK-f0bfc2e0-3
0.355
WAR-XCH-6eb0722e-2
0.355
CHR-SOS-f7373dd1-5
0.354
CHA-MCP-85291e1d-2
0.354
CHR-SOS-70e4c98a-1
0.353
MAR-TRE-2fd8122f-98
0.353
KEI-TRE-d5e2018a-92
0.352
WAR-XCH-6eb0722e-4
0.352
KEI-TRE-d5e2018a-64
0.351
MAK-UNK-b2c98f02-9
0.351