Molecular Properties | |
SMILES: | CS(=O)(=O)NC[C@@H](C(=O)N1CCCc2ccncc21)c1cccs1 |
MW: | 365.48 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 1.7553 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-18
0.800
DAN-RED-da448e80-3
0.683
DAN-RED-da448e80-15
0.651
DAN-RED-da448e80-11
0.647
DAN-RED-da448e80-7
0.647
DAN-RED-da448e80-20
0.605
DAN-RED-da448e80-2
0.534
DAN-RED-da448e80-14
0.511
DAN-RED-da448e80-6
0.505
DAN-RED-da448e80-10
0.505
DAN-RED-da448e80-17
0.422
DAN-RED-da448e80-4
0.404
DAN-RED-da448e80-16
0.392
DAN-RED-da448e80-8
0.382
DAN-RED-da448e80-12
0.382
PET-SGC-d0156db4-1
0.305
DRE-WAB-ae4a693c-1
0.305
PET-SGC-b0f8bd49-1
0.305
BEN-DND-362d364a-12
0.305
BEN-DND-93268d01-12
0.304
BEN-DND-6de5dfa0-13
0.304
PED-UNI-5b7f1100-1
0.296
DAN-RED-da448e80-1
0.296
DRE-WAB-eb790b7a-1
0.296
PED-UNI-8d53fd73-1
0.296
SAM-UNK-2684b532-14
0.296
MAK-UNK-902cc841-15
0.287
DAN-RED-da448e80-13
0.284
ASH-UNK-40b46b30-13
0.283
DAN-RED-da448e80-5
0.277
DAN-RED-da448e80-9
0.277
DOU-UNK-b5326f8f-5
0.269
DOU-UNK-b5326f8f-4
0.268
MAK-UNK-902cc841-16
0.267
PET-SGC-d5b502b1-1
0.262
WIL-WAB-6ef46ddb-1
0.262
TAM-UNI-c140e31a-10
0.257
TAM-UNI-c140e31a-6
0.257
MAK-UNK-902cc841-3
0.257
DOU-UNK-b5326f8f-8
0.254
NAU-LAT-3f5f3993-10
0.252
MAK-UNK-009ebe36-9
0.252
PET-SGC-05cff2e1-1
0.252
PET-SGC-abcbce68-1
0.250
PET-SGC-a9e9d4f4-1
0.250
TAM-UNI-c140e31a-12
0.248
ZAC-WAB-3baddbb3-1
0.248
ZAC-WAB-d55a3c2e-2
0.248
ADA-UNI-f8e79267-2
0.245
MAK-UNK-27459e11-13
0.244
DOU-UNK-b5326f8f-6
0.243
DAR-DIA-5a24bef0-16
0.243
DAR-DIA-5a24bef0-14
0.243
DAR-DIA-5a24bef0-15
0.243
ASH-UNK-40b46b30-11
0.243
MAR-TRE-9c797165-52
0.242
TAM-UNI-c140e31a-4
0.241
PET-SGC-59809fea-1
0.241
DOU-UNK-b5326f8f-7
0.241
MAR-TRE-04c86cea-49
0.241
ADA-UNI-f8e79267-8
0.241
MAR-TRE-b77b7921-34
0.241
DUN-NEW-f8ce3686-14
0.240
PET-SGC-f913cec9-1
0.240
SIM-DEM-163f01e0-1
0.235
DUN-NEW-f8ce3686-19
0.235
SEL-UNI-cd366922-2
0.235
BEN-DND-22e6b372-4
0.235
PET-SGC-f913cec9-2
0.234
TAM-UNI-c140e31a-14
0.234
BEN-DND-362d364a-10
0.234
MAK-UNK-902cc841-11
0.234
MAR-TRE-2fd8122f-96
0.234
SEL-UNI-cd366922-9
0.233
MAR-TRE-6a44bbf2-46
0.232
PET-SGC-d0156db4-2
0.231
BEN-DND-22e6b372-3
0.230
MAK-UNK-0b1cbb06-2
0.229
ADA-UNI-f8e79267-3
0.229
ASH-UNK-40b46b30-3
0.228
AAR-UNI-c25c2f1e-47
0.224
JOE-SYG-2c9a1216-2
0.224
AAR-UNI-c25c2f1e-61
0.223
MIH-UNI-6b9ca91a-3
0.223
MAK-UNK-f0bfc2e0-3
0.223
MAK-UNK-27459e11-6
0.222
MAK-UNK-009ebe36-2
0.222
SIM-DEM-f31d0e65-1
0.221
MAR-TRE-87acfbcc-28
0.221
WIL-LEE-1f71e281-7
0.221
BEN-DND-09b88bf4-3
0.220
BEN-DND-6de5dfa0-3
0.220
NAU-LAT-3f5f3993-5
0.220
MAR-TRE-c8530538-75
0.220
TAM-UNI-c140e31a-1
0.219
MAR-TRE-7f7bb9f0-33
0.219
MAK-UNK-f0bfc2e0-2
0.219
ADA-UNI-f8e79267-1
0.219
BEN-DND-09b88bf4-5
0.219
BEN-DND-93268d01-9
0.219