Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC(C(=O)Nc1cccnc1)C1CCCCC1 |
MW: | 339.461 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 88.16 |
cLogP: | 2.1559 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Hetero_hetero
ZAC-WAB-3baddbb3-1
1.000
ASH-UNK-40b46b30-13
0.714
MED-UNK-e6e8ef8a-1
0.535
MED-UNK-e6e8ef8a-7
0.514
ADA-UNI-f8e79267-2
0.500
ZAC-WAB-d55a3c2e-1
0.483
ZAC-WAB-2baeb60f-1
0.483
ADA-UNI-f8e79267-8
0.477
MAK-UNK-b2c98f02-5
0.472
ZAC-WAB-86e8bacf-1
0.462
ADA-UNI-f8e79267-1
0.440
BEN-DND-362d364a-12
0.427
PET-SGC-b0f8bd49-1
0.427
DRE-WAB-ae4a693c-1
0.427
PET-SGC-d0156db4-1
0.427
PET-SGC-d0156db4-2
0.424
BEN-DND-362d364a-10
0.413
WAR-XCH-6eb0722e-4
0.411
ASH-UNK-40b46b30-3
0.410
ALE-HEI-f28a35b5-8
0.408
ADA-UNI-f8e79267-7
0.407
AAR-POS-d2a4d1df-13
0.403
FRA-FAC-9ed5a63a-1
0.403
ALE-HEI-f28a35b5-9
0.403
WAR-XCH-6eb0722e-5
0.400
WAR-XCH-6eb0722e-1
0.391
JOH-IMS-62aeb97d-2
0.385
JOH-IMS-62aeb97d-1
0.385
MED-UNK-e6e8ef8a-5
0.380
KEI-TRE-d5e2018a-81
0.376
KEI-TRE-d5e2018a-55
0.375
MAR-TRE-7f7bb9f0-82
0.374
MAD-FNM-74857450-1
0.372
ADA-UNI-f8e79267-3
0.371
JOR-UNI-61e7b1d5-21
0.370
ADA-UNI-f8e79267-5
0.369
WAR-XCH-6eb0722e-2
0.368
KEI-TRE-d5e2018a-27
0.368
MAR-TRE-7f7bb9f0-16
0.368
DUN-NEW-f8ce3686-4
0.367
KEI-TRE-d5e2018a-43
0.367
MAR-TRE-2fd8122f-79
0.366
MED-UNK-e6e8ef8a-4
0.366
KEI-TRE-d5e2018a-40
0.364
KEI-TRE-d5e2018a-69
0.364
TAM-UNI-c140e31a-10
0.364
ANT-DIA-3c79be55-4
0.361
KEI-TRE-d5e2018a-17
0.360
KEI-TRE-d5e2018a-99
0.360
ADA-UNI-f8e79267-4
0.360
MAR-TRE-67513f76-32
0.360
MAR-TRE-7f7bb9f0-33
0.360
WAR-XCH-6eb0722e-6
0.358
MAR-TRE-3e4e6814-93
0.357
MAK-UNK-ca11b4f7-3
0.357
KEI-TRE-d5e2018a-42
0.356
KEI-TRE-d5e2018a-24
0.356
ADA-UNI-f8e79267-11
0.356
SER-UNI-985a0e14-1
0.353
JOH-IMS-62aeb97d-5
0.352
MAK-UNK-ca11b4f7-1
0.352
KEI-TRE-d5e2018a-25
0.348
KEI-TRE-d5e2018a-29
0.348
KEI-TRE-d5e2018a-34
0.348
KEI-TRE-d5e2018a-47
0.348
KEI-TRE-d5e2018a-80
0.348
KEI-TRE-d5e2018a-76
0.348
ADA-UNI-f8e79267-9
0.347
WAR-XCH-6eb0722e-3
0.347
MAR-TRE-2fd8122f-27
0.346
JOR-UNI-61e7b1d5-19
0.346
MED-UNK-e6e8ef8a-6
0.346
PET-SGC-1fc12be1-1
0.345
MAR-TRE-2fd8122f-13
0.344
KEI-TRE-d5e2018a-16
0.344
MAR-TRE-9c797165-24
0.344
MAR-TRE-67513f76-81
0.343
ALE-HEI-f28a35b5-15
0.342
MED-UNK-e6e8ef8a-3
0.341
KEI-TRE-d5e2018a-77
0.341
MAR-TRE-b77b7921-53
0.341
KEI-TRE-d5e2018a-19
0.341
SAD-SAT-135344c3-5
0.340
MAR-TRE-f6f5f473-23
0.340
ANT-DIA-b7f58f21-1
0.338
MAR-TRE-7f7bb9f0-49
0.337
MAK-UNK-d1e89583-8
0.337
MAR-TRE-2fd8122f-69
0.337
MAR-TRE-04c86cea-46
0.337
MAR-TRE-b77b7921-77
0.337
MAR-TRE-3e4e6814-54
0.337
MAK-UNK-009ebe36-1
0.337
JOR-UNI-61e7b1d5-20
0.337
MAK-UNK-b2c98f02-9
0.337
MAK-UNK-009ebe36-9
0.333
MAR-TRE-d0525fbf-14
0.333
KEI-TRE-d5e2018a-79
0.333
JOH-IMS-62aeb97d-3
0.333
MAR-TRE-d0525fbf-90
0.333
CHR-SOS-f7373dd1-1
0.333