Molecular Properties | |
SMILES: | CS(=O)(=O)NC[C@@H](C(=O)N1CCc2ccncc21)c1cccs1 |
MW: | 351.453 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 1.3652 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
Hetero_hetero
DAN-RED-da448e80-19
0.800
DAN-RED-da448e80-2
0.671
DAN-RED-da448e80-14
0.639
DAN-RED-da448e80-6
0.634
DAN-RED-da448e80-10
0.634
DAN-RED-da448e80-20
0.627
DAN-RED-da448e80-3
0.534
DAN-RED-da448e80-15
0.511
DAN-RED-da448e80-11
0.505
DAN-RED-da448e80-7
0.505
DAN-RED-da448e80-17
0.420
DAN-RED-da448e80-4
0.417
DAN-RED-da448e80-16
0.404
DAN-RED-da448e80-8
0.394
DAN-RED-da448e80-12
0.394
SAM-UNK-2684b532-14
0.363
DAN-RED-da448e80-1
0.292
PED-UNI-8d53fd73-1
0.292
PED-UNI-5b7f1100-1
0.292
DRE-WAB-eb790b7a-1
0.292
DRE-WAB-ae4a693c-1
0.287
BEN-DND-362d364a-12
0.287
PET-SGC-b0f8bd49-1
0.287
PET-SGC-d0156db4-1
0.287
MAK-UNK-902cc841-15
0.283
DAN-RED-da448e80-13
0.280
DOU-UNK-b5326f8f-5
0.276
MAK-UNK-902cc841-16
0.276
DOU-UNK-b5326f8f-4
0.275
DAN-RED-da448e80-5
0.273
DAN-RED-da448e80-9
0.273
ASH-UNK-40b46b30-13
0.265
SAD-SAT-24589cd1-7
0.261
PET-SGC-d5b502b1-1
0.257
WIL-WAB-6ef46ddb-1
0.257
MAK-UNK-27459e11-13
0.253
TAM-UNI-c140e31a-10
0.253
BEN-DND-6de5dfa0-13
0.250
DOU-UNK-b5326f8f-6
0.250
DOU-UNK-b5326f8f-8
0.250
BEN-DND-93268d01-12
0.250
NAU-LAT-3f5f3993-10
0.248
AAR-UNI-c25c2f1e-47
0.243
SEL-UNI-cd366922-2
0.242
MAR-TRE-9c797165-52
0.237
MAR-TRE-b77b7921-34
0.236
PET-SGC-a9e9d4f4-1
0.235
JAR-KUA-8c13982c-19
0.235
ZAC-WAB-d55a3c2e-2
0.231
ZAC-WAB-3baddbb3-1
0.231
SIM-DEM-163f01e0-1
0.230
DUN-NEW-f8ce3686-19
0.230
MAK-UNK-27459e11-6
0.230
MAK-UNK-902cc841-3
0.229
MAK-UNK-902cc841-11
0.229
MAK-UNK-f0bfc2e0-3
0.229
MAR-TRE-b77b7921-81
0.229
MAR-TRE-2fd8122f-96
0.229
WIL-LEE-1f71e281-7
0.228
MAR-TRE-87acfbcc-28
0.228
DOU-UNK-b5326f8f-7
0.228
ADA-UNI-f8e79267-2
0.228
SEL-UNI-cd366922-9
0.228
BEN-DND-09b88bf4-3
0.227
BEN-DND-6de5dfa0-3
0.227
NAU-LAT-3f5f3993-5
0.227
ANT-DIA-b7f58f21-1
0.226
BEN-DND-09b88bf4-5
0.226
BEN-DND-93268d01-9
0.226
ASH-UNK-40b46b30-11
0.225
MAK-UNK-f0bfc2e0-2
0.225
MAR-TRE-04c86cea-49
0.224
MAK-UNK-902cc841-12
0.222
MAK-UNK-7264f48c-6
0.222
ASH-UNK-40b46b30-3
0.222
MAK-MCD-5988fef6-1
0.221
ASH-UNK-40b46b30-2
0.221
JOK-SYG-a0b0bf84-1
0.221
JOE-SYG-2c9a1216-2
0.219
KIM-UNI-60f168f5-4
0.219
MAK-UNK-6435e6c2-1
0.218
BEN-DND-362d364a-10
0.218
RED-RED-10c9212c-51
0.217
MAR-TRE-67513f76-73
0.216
KIM-UNI-60f168f5-6
0.216
SIM-DEM-f31d0e65-1
0.216
MIH-UNI-3396182e-8
0.216
MAK-UNK-987948f6-15
0.215
MAR-TRE-a9136c7b-5
0.215
MAK-UNK-7264f48c-2
0.215
WAR-XCH-b6889685-64
0.214
MAK-UNK-009ebe36-9
0.214
MAR-TRE-d0525fbf-64
0.214
JUL-TUD-06b2044f-155
0.214
PET-SGC-d0156db4-2
0.214
ADA-UNI-f8e79267-1
0.214
AGN-NEW-95323f67-1
0.214
AGN-NEW-9315dc74-5
0.214
MAR-TRE-7f7bb9f0-33
0.214
ADA-UNI-f8e79267-8
0.213