Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N1CCCOC2C=CC=C3C=NC=C1C32 |
| MW: | 354.11 |
| Fraction sp3: | 0.3 |
| HBA: | 3 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 41.9 |
| cLogP: | 3.54 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-0870516a-2
0.831
MIC-UNK-0870516a-4
0.648
MIC-UNK-0870516a-3
0.628
ALP-POS-cd485364-2
0.356
MIC-UNK-13557a72-1
0.351
ROB-CAM-6936528f-1
0.340
SAM-UNK-2684b532-14
0.337
MAT-POS-7174c657-2
0.333
NAM-UNK-f7c77a48-3
0.326
SAD-SAT-b55127ae-1
0.316
NAM-UNK-f7c77a48-4
0.312
JAN-GHE-5a013bed-1
0.302
ALP-POS-6495d03e-7
0.298
JAN-GHE-f4ca5a00-12
0.297
NAU-LAT-e1818702-1
0.297
EDJ-MED-c292668a-1
0.297
PET-UNK-f92d7c0c-6
0.296
PET-UNK-f92d7c0c-1
0.296
MAT-POS-7174c657-3
0.295
ALP-POS-8b8a49e1-7
0.295
MAT-POS-0c8fa4a7-3
0.294
EDJ-MED-976da9a6-2
0.294
JAN-GHE-5a013bed-5
0.293
PET-UNK-f92d7c0c-5
0.292
PET-UNK-f92d7c0c-4
0.292
ALP-POS-90e38439-3
0.289
ALP-POS-8b8a49e1-5
0.289
MIC-UNK-42806bd5-2
0.289
MIC-UNK-fc94cdb5-1
0.289
JIN-POS-6dc588a4-2
0.288
AAR-POS-d2a4d1df-35
0.287
MED-COV-4280ac29-15
0.287
HYO-UNK-49a60884-1
0.287
JOH-UNI-0e1753c1-3
0.287
VLA-UNK-4cf5aa07-1
0.287
PET-UNK-158bee2a-1
0.287
JAG-UCB-a3ef7265-17
0.286
NAU-LAT-e1818702-7
0.286
EDG-MED-0da5ad92-16
0.286
VLA-UNK-411a133b-1
0.286
PET-UNK-f92d7c0c-7
0.284
JAN-GHE-5a013bed-9
0.284
EDJ-MED-49816e9b-5
0.283
EDJ-MED-49816e9b-3
0.283
JOH-UNI-3fc3434e-4
0.282
JOH-UNI-ee5ed7c8-4
0.282
MIC-UNK-b12b7f76-2
0.282
PET-UNK-f92d7c0c-3
0.280
SAD-SAT-7d5528d9-21
0.280
ASH-SAT-43770c7d-3
0.280
ALP-POS-79636100-3
0.279
MAT-POS-bfb445d4-2
0.279
EDJ-MED-6e43a462-12
0.278
MED-COV-4280ac29-13
0.277
MIC-UNK-4c7b8ba7-1
0.277
BEN-DND-1e24cf73-1
0.276
EDJ-MED-50fe53e8-3
0.276
MAT-POS-0c8fa4a7-2
0.275
MAT-POS-53907a1c-1
0.275
ALP-POS-6495d03e-3
0.274
JOH-UNI-0e1753c1-2
0.274
MAT-POS-0c8fa4a7-4
0.274
PET-UNK-8df914d1-4
0.273
VLA-UNK-4cf5aa07-2
0.272
JOH-UNI-ee5ed7c8-12
0.271
JOH-UNI-3fc3434e-12
0.271
JAN-GHE-5a013bed-3
0.271
EDJ-MED-c8e7a002-17
0.271
NAU-LAT-a5c7d7cb-14
0.271
ALP-POS-902f21bb-1
0.271
ROB-UNI-daaf9793-2
0.271
SEA-TRI-146a67b6-1
0.270
EDG-MED-0da5ad92-12
0.270
PET-UNK-8df914d1-5
0.269
JAN-GHE-f4ca5a00-16
0.269
EDJ-MED-6e43a462-10
0.269
ALP-POS-cd485364-1
0.269
JOH-UNI-23d9e1b1-1
0.268
MAK-UNK-6ca90168-13
0.268
BEN-DND-1e24cf73-6
0.268
TRY-UNI-714a760b-6
0.267
RUB-POS-1325a9ea-24
0.267
JAN-GHE-f4ca5a00-17
0.267
DAN-LON-a5fc619e-4
0.267
BEN-DND-02317c5c-8
0.267
VLA-UCB-00f2c2b3-7
0.267
PET-UNK-e44ffd04-1
0.267
NAU-LAT-a5c7d7cb-12
0.267
JAN-GHE-f4ca5a00-14
0.267
JIN-POS-6dc588a4-18
0.266
EDJ-MED-6e43a462-11
0.266
JAN-GHE-5a013bed-8
0.265
MIC-UNK-42806bd5-1
0.265
EDG-MED-0da5ad92-2
0.265
MIC-UNK-66895286-1
0.265
MAT-POS-500ca5bf-2
0.265
ALP-POS-90e38439-2
0.265
VLA-UCB-1dbca3b4-2
0.264
EDJ-MED-6e43a462-9
0.264
MAT-POS-bb423b95-9
0.264