Molecular Properties | |
SMILES: | CS(=O)(=O)NCC(C(=O)Nc1cccnc1)C1CCCCC1 |
MW: | 325.15 |
Fraction sp3: | 0.6 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 1.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
ZAC-WAB-3baddbb3-1
0.714
ZAC-WAB-d55a3c2e-2
0.714
MED-UNK-e6e8ef8a-1
0.591
MED-UNK-e6e8ef8a-7
0.544
DRE-WAB-ae4a693c-1
0.507
PET-SGC-b0f8bd49-1
0.507
PET-SGC-d0156db4-1
0.507
BEN-DND-362d364a-12
0.507
MAK-UNK-b2c98f02-5
0.494
ALE-HEI-f28a35b5-8
0.451
ADA-UNI-f8e79267-2
0.450
ASH-UNK-40b46b30-3
0.449
ADA-UNI-f8e79267-1
0.444
TAM-UNI-c140e31a-10
0.432
ALE-HEI-f28a35b5-9
0.425
AAR-POS-d2a4d1df-13
0.425
FRA-FAC-9ed5a63a-1
0.425
MED-UNK-e6e8ef8a-5
0.419
ADA-UNI-f8e79267-8
0.414
KEI-TRE-d5e2018a-81
0.412
PET-SGC-d0156db4-2
0.410
JOH-IMS-62aeb97d-2
0.405
ADA-UNI-f8e79267-3
0.405
MAR-TRE-2fd8122f-79
0.403
BEN-DND-362d364a-10
0.400
ADA-UNI-f8e79267-7
0.393
ZAC-WAB-2baeb60f-1
0.391
ZAC-WAB-d55a3c2e-1
0.391
JOH-IMS-62aeb97d-1
0.387
MED-UNK-e6e8ef8a-4
0.385
KEI-TRE-d5e2018a-43
0.384
KEI-TRE-d5e2018a-40
0.381
KEI-TRE-d5e2018a-69
0.381
PET-SGC-1fc12be1-1
0.380
ADA-UNI-f8e79267-4
0.378
KEI-TRE-d5e2018a-17
0.378
KEI-TRE-d5e2018a-99
0.378
MAR-TRE-67513f76-32
0.378
KEI-TRE-d5e2018a-55
0.376
ZAC-WAB-86e8bacf-1
0.375
MAR-TRE-9c797165-24
0.375
WAR-XCH-6eb0722e-6
0.374
KEI-TRE-d5e2018a-42
0.373
JOH-IMS-62aeb97d-5
0.373
KEI-TRE-d5e2018a-77
0.372
MAR-TRE-b77b7921-53
0.372
KEI-TRE-d5e2018a-24
0.372
JOR-UNI-61e7b1d5-21
0.371
WAR-XCH-6eb0722e-5
0.371
ADA-UNI-f8e79267-5
0.370
WAR-XCH-6eb0722e-2
0.370
KEI-TRE-d5e2018a-27
0.369
MAR-TRE-7f7bb9f0-16
0.369
TRY-UNI-714a760b-16
0.367
WAR-XCH-6eb0722e-4
0.367
CHR-SOS-f7373dd1-1
0.366
MAR-TRE-2fd8122f-27
0.365
KEI-TRE-d5e2018a-29
0.365
KEI-TRE-d5e2018a-25
0.365
MAR-TRE-67513f76-81
0.364
KEI-TRE-d5e2018a-47
0.364
KEI-TRE-d5e2018a-76
0.364
MED-UNK-e6e8ef8a-6
0.364
FRA-FAC-9ed5a63a-3
0.364
WAR-XCH-6eb0722e-1
0.363
ADA-UNI-f8e79267-9
0.363
FRA-FAC-9ed5a63a-4
0.362
ANT-DIA-3c79be55-4
0.362
WAR-XCH-6eb0722e-3
0.362
MAR-TRE-7f7bb9f0-33
0.360
KEI-TRE-d5e2018a-16
0.360
MAR-TRE-7f7bb9f0-82
0.360
MED-UNK-e6e8ef8a-3
0.359
MAD-FNM-74857450-1
0.359
MAK-UNK-ca11b4f7-3
0.358
AAR-POS-d2a4d1df-11
0.357
KEI-TRE-d5e2018a-19
0.356
SAD-SAT-135344c3-5
0.356
MAR-TRE-7f7bb9f0-49
0.354
SAD-SAT-689b7d5a-4
0.354
MAR-TRE-2fd8122f-69
0.354
MAK-UNK-ca11b4f7-1
0.353
MAR-TRE-b77b7921-77
0.352
JOH-IMS-62aeb97d-3
0.351
SAD-SAT-689b7d5a-9
0.350
MAR-TRE-2fd8122f-90
0.349
KEI-TRE-d5e2018a-34
0.348
KEI-TRE-d5e2018a-80
0.348
DAR-DIA-842b4336-2
0.347
CHR-SOS-f7373dd1-2
0.346
MAR-TRE-74c6519b-51
0.345
CHR-SOS-f7373dd1-3
0.345
MAK-UNK-f0bfc2e0-2
0.345
MAK-UNK-009ebe36-3
0.344
MAR-TRE-2fd8122f-4
0.344
JOR-UNI-2fc98d0b-12
0.344
MAR-TRE-7f7bb9f0-92
0.344
MAK-UNK-b2c98f02-7
0.344
ALE-HEI-f28a35b5-15
0.342
ALE-HEI-f28a35b5-14
0.342