Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cc(C#N)ccc1CNC(=O)N1CCOCC1 |
MW: | 366.443 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 111.53 |
cLogP: | 0.19178 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-SGC-0ecb2cfe-1
0.757
WIL-LEE-1f71e281-1
0.645
ANT-DIA-b7f58f21-9
0.613
JAN-GHE-fd8d85a5-12
0.590
TAM-UNI-d1c3dd9f-1
0.581
DAR-DIA-fb20be43-16
0.581
SAD-SAT-f25ee457-4
0.576
SAD-SAT-f25ee457-9
0.570
PET-SGC-276eba5a-1
0.549
SAD-SAT-f25ee457-3
0.533
MAK-UNK-ec98eaf6-25
0.521
AAR-POS-d2a4d1df-21
0.468
PET-SGC-cb83a00c-1
0.444
SAD-SAT-f25ee457-2
0.426
PAU-WEI-f734c343-2
0.415
STU-CHA-6cae54d3-1
0.404
PAT-GYR-359dbb24-2
0.402
PAT-GYR-359dbb24-1
0.395
DAR-DIA-fb20be43-17
0.384
ANT-DIA-b7f58f21-8
0.383
ROB-UNI-b2e39629-1
0.383
PAT-GYR-de8eec61-1
0.380
PAT-GYR-359dbb24-3
0.379
PAT-GYR-359dbb24-4
0.376
PAT-GYR-de8eec61-2
0.368
TAM-UNI-d1c3dd9f-21
0.366
MAK-UNK-10799360-12
0.365
PAT-GYR-de8eec61-4
0.364
WAR-XCH-6eb0722e-1
0.361
PAT-GYR-359dbb24-5
0.360
PAT-GYR-de8eec61-5
0.358
ROB-UNI-b2e39629-12
0.353
PAT-GYR-de8eec61-7
0.344
ROB-UNI-b2e39629-10
0.344
PAT-GYR-de8eec61-3
0.343
PAT-GYR-de8eec61-6
0.343
DAR-DIA-caba39e3-12
0.327
TAM-UNI-d1c3dd9f-12
0.320
PET-SGC-90aed325-1
0.314
BEN-DND-362d364a-6
0.314
ROB-UNI-b2e39629-5
0.313
PHI-UNK-c3ab17cb-1
0.312
DAR-DIA-03336633-10
0.308
WAR-XCH-6eb0722e-3
0.308
SWA-SYN-d2e6fa14-7
0.307
SWA-SYN-6423ea73-7
0.307
DAR-DIA-fb20be43-18
0.305
ROB-UNI-b2e39629-3
0.304
TRY-UNI-9f475305-1
0.299
PED-UNI-b79f0f51-2
0.297
TAM-UNI-d1c3dd9f-17
0.292
TAM-UNI-d1c3dd9f-7
0.291
MAK-UNK-10799360-19
0.290
TRY-UNI-1fd04853-3
0.288
MAK-UNK-27459e11-7
0.280
ANT-DIA-b7f58f21-3
0.278
SIM-DEM-f31d0e65-1
0.278
TAM-UNI-d1c3dd9f-18
0.278
DAR-DIA-fb20be43-3
0.276
STU-CHA-128b80be-1
0.275
ELE-IMP-dfb36048-3
0.275
MAK-UNK-27459e11-8
0.274
DAR-DIA-caba39e3-13
0.274
DUN-NEW-f8ce3686-13
0.272
JAN-GHE-fd8d85a5-8
0.271
NAU-LAT-0543f7f2-4
0.270
TRY-UNI-9f475305-9
0.269
ANT-DIA-b7f58f21-2
0.268
ROB-UNI-b2e39629-9
0.267
AHN-SAT-de2502ba-9
0.266
STU-CHA-6d5cfe2b-1
0.264
STU-CHA-7b3b91d5-1
0.264
MAR-TRE-6a44bbf2-34
0.263
KIM-UNI-7d12df64-2
0.263
WIL-NOV-649f4ed0-2
0.263
WAR-XCH-6eb0722e-5
0.262
ROB-UNI-b2e39629-11
0.262
MAR-TRE-fd17a9b8-68
0.260
WAR-XCH-6eb0722e-4
0.260
ELE-IMP-dfb36048-2
0.258
CAL-AMP-9edebd8f-1
0.258
DUN-NEW-f8ce3686-10
0.258
JOH-MSK-d60b0211-1
0.257
PAT-UNK-b2d83456-5
0.257
STU-CHA-5350f95a-1
0.257
SAD-SAT-24589cd1-6
0.257
DRR-IMP-dff87f5e-9
0.256
JOH-MEM-4bb7e4cc-1
0.255
DUN-NEW-f8ce3686-12
0.255
MAT-GIT-deadff56-1
0.255
AHN-SAT-de2502ba-16
0.255
MAR-UNI-9d4da90d-2
0.253
MAR-TRE-6a44bbf2-20
0.253
AHN-SAT-de2502ba-12
0.253
SAD-SAT-65574d3f-8
0.253
BEN-DND-362d364a-8
0.253
ROB-UNI-b2e39629-4
0.253
BEN-DND-362d364a-7
0.252
TAM-UNI-d1c3dd9f-4
0.252
JOR-UNI-61e7b1d5-4
0.252