Molecular Properties | |
SMILES: | C[C@H](N[C@@H]1COC[C@H]1O)c1cccc(Cl)c1 |
MW: | 241.09 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 41.49 |
cLogP: | 1.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-29
JOH-IMS-1436231f-5
0.420
AAR-POS-0daf6b7e-10
0.417
JOH-IMS-1436231f-3
0.344
MAK-UNK-748f8b7a-10
0.343
JOH-IMS-0f19a540-12
0.342
MED-COV-4280ac29-6
0.324
WIL-LEE-1f71e281-4
0.319
DAV-CRI-3edb475e-5
0.300
JAN-GHE-83b26c96-9
0.299
MED-COV-4280ac29-7
0.299
JOH-ILL-b8b12274-1
0.297
JOH-ILL-b8b12274-2
0.297
JAN-GHE-83b26c96-7
0.295
GIA-UNK-7337c2f3-2
0.293
DAR-DIA-3e9bbd81-12
0.293
TRY-UNI-9f475305-8
0.291
MED-COV-4280ac29-18
0.289
DAV-CRI-3edb475e-4
0.288
SEA-TRI-8222e606-1
0.287
BRU-CON-67e07230-1
0.287
MAK-UNK-10799360-36
0.286
MAK-UNK-be5ffcbc-5
0.284
MIC-UNK-5a93dd5f-10
0.281
MIC-UNK-6ab519a7-1
0.281
NAU-LAT-a5c7d7cb-2
0.281
NIR-THE-590dedc7-1
0.281
SEA-TRI-2c7f3de8-1
0.280
DAN-LON-a5fc619e-3
0.280
JOH-UNI-0e1753c1-5
0.280
NAU-LAT-a5c7d7cb-6
0.279
DAN-LON-a5fc619e-4
0.278
WIL-LEE-1f71e281-7
0.278
PET-UNK-f92d7c0c-4
0.278
PET-UNK-f92d7c0c-5
0.278
JOH-UNI-0e1753c1-4
0.277
JOH-IMS-1436231f-2
0.276
NAU-LAT-a5c7d7cb-3
0.276
VLA-UCB-05e51b3f-2
0.276
GIA-UNK-c4371e97-3
0.275
MAK-UNK-be5ffcbc-3
0.273
SAM-UNK-2684b532-7
0.273
PAU-WEI-b9b69149-3
0.271
MAR-TRE-8190bb11-59
0.270
TRY-UNI-2eddb1ff-5
0.269
TRY-UNI-714a760b-18
0.269
JAN-GHE-83b26c96-5
0.269
TRY-UNI-2eddb1ff-4
0.269
JAN-GHE-83b26c96-4
0.269
PAU-WEI-3e86dfd8-2
0.268
MAK-UNK-ec98eaf6-1
0.267
PET-UNK-f92d7c0c-6
0.267
PET-UNK-f92d7c0c-1
0.267
WIL-LEE-1f71e281-3
0.267
JOK-SYG-a0b0bf84-1
0.267
AHN-SAT-721e3e40-1
0.265
SAD-SAT-c989feaa-6
0.265
PAU-WEI-b9b69149-1
0.265
PET-UNK-f92d7c0c-3
0.263
AAR-RCN-78cf61f7-1
0.263
TRY-UNI-714a760b-15
0.263
JAR-KUA-41bd5a3d-5
0.263
JAN-GHE-83b26c96-6
0.263
DAR-DIA-3e9bbd81-3
0.262
MAK-UNK-ec98eaf6-6
0.262
MAK-UNK-c749d764-22
0.260
MAK-UNK-ffc90da7-4
0.260
RUB-POS-1325a9ea-20
0.259
JAN-GHE-83b26c96-2
0.259
PET-UNK-f92d7c0c-8
0.259
PET-UNK-f92d7c0c-2
0.259
MAK-UNK-d508046f-20
0.259
MAK-UNK-ec98eaf6-45
0.259
DAN-LON-a5fc619e-7
0.259
EDJ-MED-239d8ca5-2
0.258
MIC-UNK-5a93dd5f-4
0.258
ABI-SAT-4d06482b-3
0.256
SAM-UNK-2684b532-6
0.256
SAD-SAT-c989feaa-3
0.256
SAM-UNK-2684b532-5
0.256
SAD-SAT-29425be4-7
0.255
PET-UNK-f92d7c0c-7
0.253
SAD-SAT-c989feaa-10
0.253
JAN-GHE-83b26c96-3
0.253
MAK-UNK-ec98eaf6-50
0.253
MED-COV-4280ac29-34
0.253
MIC-UNK-5a93dd5f-8
0.253
PET-UNK-1320d94d-8
0.250
JON-UIO-066ce08b-7
0.250
JAN-GHE-83b26c96-1
0.250
EDJ-MED-cf4b0d25-4
0.250
MIC-UNK-13557a72-1
0.250
EDG-MED-0da5ad92-5
0.250
PET-UNK-1320d94d-7
0.250
PAU-WEI-b9b69149-2
0.247
DAN-LON-a5fc619e-8
0.247
MIC-UNK-5a93dd5f-6
0.245
MIC-UNK-5a93dd5f-9
0.245
DAR-DIA-3e9bbd81-15
0.244
JAN-GHE-f4ca5a00-19
0.244
MAK-UNK-ec98eaf6-49
0.244