Molecular Properties | |
SMILES: | CS(=O)(=O)NCCc1cc(C#N)ccc1CNC(=O)N1CCCCC1 |
MW: | 364.471 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 102.3 |
cLogP: | 1.34548 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
SCO-VAN-260d9628-4
0.757
WIL-LEE-1f71e281-1
0.482
ANT-DIA-b7f58f21-9
0.460
JAN-GHE-fd8d85a5-12
0.429
DAR-DIA-fb20be43-16
0.426
TAM-UNI-d1c3dd9f-1
0.426
SAD-SAT-f25ee457-4
0.419
SAD-SAT-f25ee457-9
0.415
PET-SGC-276eba5a-1
0.404
ANT-DIA-b7f58f21-8
0.392
ROB-UNI-b2e39629-1
0.392
SAD-SAT-f25ee457-3
0.390
MAK-UNK-ec98eaf6-25
0.385
WAR-XCH-6eb0722e-1
0.368
ROB-UNI-b2e39629-10
0.366
BEN-DND-362d364a-6
0.337
PET-SGC-90aed325-1
0.337
ROB-UNI-b2e39629-5
0.333
SWA-SYN-d2e6fa14-7
0.314
SWA-SYN-6423ea73-7
0.314
WAR-XCH-6eb0722e-3
0.314
ROB-UNI-b2e39629-3
0.311
AAR-POS-d2a4d1df-21
0.306
MAK-UNK-27459e11-7
0.304
PAU-WEI-f734c343-2
0.298
TAM-UNI-d1c3dd9f-17
0.298
TAM-UNI-d1c3dd9f-18
0.298
DAR-DIA-03336633-9
0.294
SAD-SAT-f25ee457-2
0.294
TRY-UNI-9f475305-1
0.292
PET-SGC-cb83a00c-1
0.292
ROB-UNI-b2e39629-9
0.286
ANT-DIA-b7f58f21-3
0.286
BEN-DND-362d364a-7
0.283
TRY-UNI-1fd04853-3
0.282
DAR-DIA-03336633-11
0.282
DAR-DIA-fb20be43-3
0.281
MAK-UNK-27459e11-8
0.280
PET-SGC-616b7348-1
0.280
ELE-IMP-dfb36048-3
0.280
LUI-IND-2c46affe-3
0.278
CAL-AMP-9edebd8f-1
0.277
JAN-GHE-fd8d85a5-8
0.277
DUN-NEW-f8ce3686-10
0.277
ELE-IMP-dfb36048-2
0.277
DUN-NEW-f8ce3686-12
0.275
JOH-MEM-4bb7e4cc-1
0.275
MAT-GIT-deadff56-1
0.275
STU-CHA-6cae54d3-1
0.275
ROB-UNI-b2e39629-12
0.271
SIM-DEM-f31d0e65-1
0.271
KIM-UNI-7d12df64-2
0.269
WAR-XCH-6eb0722e-5
0.267
PET-SGC-708ec5d8-1
0.266
WAR-XCH-6eb0722e-4
0.265
NAU-LAT-0543f7f2-4
0.264
PHI-UNK-c3ab17cb-1
0.263
PAT-GYR-de8eec61-1
0.263
JOH-MSK-d60b0211-1
0.262
PAT-UNK-b2d83456-5
0.262
DAR-DIA-fb20be43-17
0.262
STU-CHA-5350f95a-1
0.262
PAT-GYR-359dbb24-1
0.261
HAN-NEW-5f56c3bc-2
0.260
ANT-DIA-b7f58f21-2
0.259
MAR-UNI-9d4da90d-2
0.259
PED-UNI-b79f0f51-2
0.258
JON-UIO-066ce08b-10
0.258
PET-SGC-f818f65b-1
0.258
BEN-DND-362d364a-8
0.258
ROB-UNI-b2e39629-4
0.258
ELE-IMP-dfb36048-1
0.258
TAM-UNI-c140e31a-15
0.258
SAM-UNK-903735bd-2
0.258
SIM-DEM-265738e1-1
0.258
TAM-UNI-d1c3dd9f-4
0.257
STU-CHA-7b3b91d5-1
0.257
SCO-VAN-260d9628-5
0.256
PAT-GYR-359dbb24-2
0.256
MAK-UNK-516d8086-26
0.255
PAT-GYR-de8eec61-2
0.255
JAN-GHE-6413aaf8-7
0.255
IND-SYN-aa221fbf-1
0.253
IND-SYN-2c708b29-5
0.253
ELE-IMP-dfb36048-5
0.253
MAR-UNI-9ca61fdc-1
0.250
MAK-UNK-516d8086-16
0.250
MAK-UNK-27459e11-16
0.250
AHN-SAT-de2502ba-2
0.250
MAR-TRE-6a44bbf2-30
0.250
MAK-UNK-10799360-12
0.250
DUN-NEW-f8ce3686-5
0.248
ELE-IMP-dfb36048-4
0.248
TAT-ENA-80bfd3e5-10
0.247
BEN-DND-362d364a-9
0.247
AHN-SAT-de2502ba-10
0.247
DRR-IMP-dff87f5e-9
0.247
MAK-UNK-27459e11-9
0.247
ANT-DIA-b7f58f21-1
0.247
VIK-SYN-9a3d118a-8
0.245