Molecular Properties | |
SMILES: | CS(=O)(=O)NCCC(C(=O)Cc1c[nH]c2ncccc12)C1CCCCC1 |
MW: | 377.51 |
Fraction sp3: | 0.58 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 91.92 |
cLogP: | 2.8103 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
Hetero_hetero
ZAC-WAB-d55a3c2e-1
1.000
ZAC-WAB-86e8bacf-1
0.756
ZAC-WAB-3baddbb3-1
0.483
ZAC-WAB-d55a3c2e-2
0.483
MAK-UNK-b1917cc8-5
0.459
NIC-BIO-25446079-4
0.455
GAB-FRA-261eb2a6-1
0.451
NIC-BIO-25446079-3
0.433
NIC-BIO-25446079-1
0.432
SHR-UNK-cde60afe-1
0.425
SAD-SAT-f25ee457-5
0.424
TRY-UNI-1fd04853-5
0.418
NIC-BIO-25446079-2
0.416
NIC-BIO-ec630548-1
0.411
MAR-TRE-3159af1a-9
0.409
NIC-BIO-29f4a211-1
0.409
MAR-TRE-3159af1a-40
0.406
MAR-TRE-3159af1a-37
0.406
MAR-TRE-3159af1a-8
0.404
IND-SYN-3aa4e743-1
0.404
IND-SYN-6c8299e8-5
0.404
AAR-POS-d2a4d1df-20
0.404
TRY-UNI-1fd04853-7
0.404
MAR-TRE-3159af1a-41
0.404
SAD-SAT-f25ee457-10
0.402
MAR-TRE-3159af1a-70
0.402
NIC-BIO-29f4a211-2
0.396
NIC-BIO-ec630548-2
0.392
MAR-TRE-3159af1a-90
0.392
ASH-UNK-40b46b30-13
0.391
TRY-UNI-1fd04853-8
0.391
TRY-UNI-1fd04853-6
0.389
NIC-BIO-ec630548-4
0.388
TRY-UNI-1fd04853-11
0.387
KAL-WAB-eb347ebe-1
0.386
NIC-BIO-ec630548-3
0.384
TRY-UNI-1fd04853-9
0.383
SWA-SYN-6423ea73-10
0.380
SWA-SYN-d2e6fa14-9
0.380
SAD-SAT-f25ee457-6
0.380
NAU-LAT-81109c57-7
0.377
MAR-UCB-195bc32d-13
0.376
MAR-TRE-3159af1a-33
0.376
TRY-UNI-1fd04853-12
0.375
RED-RED-10c9212c-49
0.375
ANT-DIA-3c79be55-1
0.372
MAR-TRE-3159af1a-84
0.370
NIC-BIO-96ee2ca4-1
0.369
TRY-UNI-1fd04853-10
0.367
MAR-TRE-3159af1a-16
0.364
SWA-SYN-d2e6fa14-4
0.363
SWA-SYN-6423ea73-4
0.363
NIC-BIO-f814dd3d-1
0.362
DAR-DIA-23aa0b97-12
0.362
TAM-UNI-c140e31a-17
0.361
MAR-TRE-3159af1a-76
0.361
ASH-UNK-40b46b30-18
0.358
MAR-TRE-3159af1a-66
0.356
TAM-UNI-c140e31a-4
0.355
DAR-DIA-23aa0b97-2
0.354
ANT-DIA-3c79be55-3
0.353
TAM-UNI-c140e31a-8
0.352
NIC-BIO-96ee2ca4-2
0.351
TAM-UNI-c140e31a-5
0.349
TAM-UNI-c140e31a-18
0.349
ASH-UNK-40b46b30-14
0.348
PET-SGC-fc67af9f-1
0.348
DAR-DIA-23aa0b97-1
0.347
MAR-TRE-3159af1a-2
0.346
MAK-UNK-10572812-13
0.339
MAK-UNK-10572812-7
0.333
NIC-BIO-3276ca7f-6
0.333
MAK-UNK-10572812-12
0.333
MAK-UNK-10572812-11
0.331
NIC-BIO-3276ca7f-1
0.327
NIC-BIO-3276ca7f-4
0.327
MAR-TRE-3159af1a-24
0.324
MAK-UNK-10572812-6
0.323
MAK-UNK-10572812-1
0.322
JON-UNI-57097b3f-2
0.319
MAR-TRE-3159af1a-99
0.318
NIC-BIO-3276ca7f-5
0.317
MAK-UNK-10572812-9
0.316
MAK-UNK-de8f6d00-2
0.316
MAK-UNK-10572812-10
0.311
MAK-UNK-de8f6d00-5
0.310
MAK-UNK-de8f6d00-3
0.310
MAK-UNK-de8f6d00-8
0.310
TAM-UNI-c140e31a-9
0.308
MAK-UNK-de8f6d00-1
0.307
MAR-TRE-3159af1a-1
0.306
MAR-TRE-3159af1a-75
0.306
MAR-TRE-3159af1a-74
0.306
MAK-UNK-10572812-8
0.306
MAR-UCB-195bc32d-10
0.305
PET-SGC-a9e9d4f4-1
0.304
MAK-UNK-10572812-2
0.303
MAR-TRE-3159af1a-89
0.303
MAK-UNK-de8f6d00-7
0.302
MAR-TRE-3159af1a-44
0.301