Molecular Properties | |
SMILES: | NC(=O)C1CC2(CCCN(C(=O)CCl)C2)CC1c1ccsc1 |
MW: | 340.876 |
Fraction sp3: | 0.62 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 63.4 |
cLogP: | 2.5746 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-27
0.694
AAR-POS-d2a4d1df-14
0.370
MED-UNK-28939ac5-1
0.342
MAT-POS-ee51dedd-2
0.342
ANN-UNI-26382800-7
0.326
MAK-UNK-6ca90168-20
0.325
NIR-THE-99f25457-4
0.323
MAK-UNK-212f693e-10
0.317
MED-UNK-28939ac5-7
0.311
MAK-UNK-212f693e-9
0.309
MAK-UNK-212f693e-32
0.305
SAD-SAT-1b030f84-5
0.304
MAK-UNK-212f693e-13
0.301
AAR-POS-0daf6b7e-13
0.300
MAK-UNK-212f693e-8
0.300
LON-WEI-8f408cad-7
0.300
MAK-UNK-6ca90168-22
0.299
MAK-UNK-212f693e-11
0.291
ANT-DIA-045cfdc4-2
0.289
ASH-UNK-40b46b30-2
0.287
LON-WEI-af038623-5
0.284
LIZ-THE-60ec5b32-1
0.282
ASH-UNK-40b46b30-16
0.281
ANT-DIA-045cfdc4-1
0.280
SAD-SAT-d8079f6f-6
0.279
MAK-UNK-e4a48a85-23
0.277
SCO-VAN-260d9628-3
0.276
DAN-MCD-3ec20f87-1
0.276
MAK-UNK-704ed37c-11
0.275
MAK-UNK-e4a48a85-1
0.275
LON-WEI-af038623-4
0.273
AAR-POS-0daf6b7e-16
0.272
STU-CHA-545e7bd3-1
0.271
JOH-UNI-27ac80fd-32
0.271
PET-SGC-a3e47117-1
0.270
DAN-MCD-9b81d1fa-1
0.269
DAN-MCD-b3a5626f-1
0.269
ANT-DIA-045cfdc4-5
0.268
MAK-UNK-ec98eaf6-12
0.268
BEN-DND-76ad4ac9-8
0.267
MED-COV-4280ac29-11
0.267
MAK-UNK-704ed37c-16
0.267
MAK-UNK-704ed37c-13
0.267
SAD-SAT-d8079f6f-5
0.265
MAK-UNK-e4a48a85-24
0.265
DRR-IMP-db50bf6e-3
0.263
DAN-MCD-7eba3d41-1
0.262
JOH-UNI-27ac80fd-33
0.261
STU-CHA-07310c75-1
0.260
MAK-UNK-750cfbcc-1
0.260
MAK-UNK-212f693e-23
0.259
AAR-POS-d2a4d1df-29
0.259
MAR-TRE-6a44bbf2-61
0.259
ANT-DIA-045cfdc4-3
0.258
DAN-MCD-3bfdcef2-1
0.257
DAN-MCD-93e7aadc-1
0.257
MAK-UNK-704ed37c-10
0.257
SAD-SAT-65574d3f-6
0.256
MAK-UNK-212f693e-12
0.256
DUN-NEW-f8ce3686-3
0.255
MAK-UNK-e4a48a85-21
0.255
STU-CHA-545e7bd3-2
0.255
DAN-MCD-a37c31cb-1
0.255
DAN-MCD-68a9aade-1
0.255
DAN-MCD-e5161b06-1
0.255
MAK-UNK-4b073b5c-16
0.254
DAN-MCD-52f1549c-1
0.252
DAN-MCD-8aee1169-1
0.252
MAK-UNK-e4a48a85-25
0.252
NIR-THE-99f25457-1
0.252
DRR-IMP-38dce17f-7
0.250
MAK-UNK-6ca90168-14
0.250
MAK-UNK-987948f6-2
0.250
SAD-SAT-bc31ec01-1
0.250
MAR-TRE-6a44bbf2-53
0.250
MAK-UNK-7c9d1431-21
0.250
DAN-MCD-c163c0bb-1
0.250
MAK-UNK-7c9d1431-25
0.250
WAR-XCH-79d12f6e-7
0.250
MAK-UNK-704ed37c-14
0.250
MAK-UNK-e4a48a85-2
0.247
ANT-DIA-045cfdc4-4
0.247
MAK-UNK-acefcb18-4
0.247
MAK-UNK-7c9d1431-5
0.247
MAR-TRE-6a44bbf2-31
0.247
NIM-UNI-43fe0159-3
0.247
SAD-SAT-d8079f6f-3
0.246
SAD-SAT-1b030f84-9
0.246
MAK-UNK-95198336-3
0.246
DAN-MCD-0c04f563-1
0.245
DAN-MCD-cb24a79d-1
0.245
MAK-UNK-c74072e5-9
0.245
MAK-UNK-e4a48a85-22
0.245
MAK-UNK-e4a48a85-20
0.245
LON-WEI-120e5cf5-21
0.245
MAK-UNK-6ca90168-4
0.244
NIM-UNI-43fe0159-1
0.244
AHN-SAT-de2502ba-8
0.244
AAR-POS-d2a4d1df-25
0.244
DRR-IMP-db50bf6e-1
0.244