Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N1CCCCC2C=CC=C3C=NC=C1C32 |
| MW: | 352.13 |
| Fraction sp3: | 0.33 |
| HBA: | 2 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 32.67 |
| cLogP: | 4.55 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-0870516a-4
0.910
MIC-UNK-0870516a-1
0.628
MIC-UNK-0870516a-2
0.606
NAM-UNK-f7c77a48-4
0.359
SAD-SAT-b55127ae-1
0.348
ALP-POS-cd485364-2
0.346
SAM-UNK-2684b532-14
0.340
MAT-POS-7174c657-2
0.337
ROB-CAM-6936528f-1
0.330
NAM-UNK-f7c77a48-3
0.330
MIC-UNK-13557a72-1
0.326
MIC-UNK-42806bd5-2
0.305
MIC-UNK-fc94cdb5-1
0.305
ALP-POS-90e38439-3
0.305
ALP-POS-8b8a49e1-5
0.305
JAN-GHE-5a013bed-9
0.301
JAN-GHE-f4ca5a00-12
0.300
NAU-LAT-e1818702-1
0.300
EDJ-MED-c292668a-1
0.300
PET-UNK-f92d7c0c-1
0.299
PET-UNK-f92d7c0c-6
0.299
EDJ-MED-49816e9b-5
0.299
MAT-POS-7174c657-3
0.298
ALP-POS-8b8a49e1-7
0.298
PET-UNK-f92d7c0c-4
0.295
MAT-POS-500ca5bf-2
0.295
ALP-POS-90e38439-2
0.295
PET-UNK-f92d7c0c-5
0.295
MIC-UNK-42806bd5-1
0.295
MIC-UNK-4c7b8ba7-1
0.293
JAN-GHE-5a013bed-1
0.292
MIC-UNK-8373f97b-4
0.291
AAR-POS-d2a4d1df-35
0.290
MED-COV-4280ac29-15
0.290
HYO-UNK-49a60884-1
0.290
JOH-UNI-0e1753c1-3
0.290
JOH-UNI-0e1753c1-2
0.290
JAG-UCB-a3ef7265-17
0.289
NAU-LAT-e1818702-7
0.289
VLA-UNK-411a133b-1
0.289
ALP-POS-6495d03e-7
0.288
MAT-POS-0c8fa4a7-4
0.288
JAN-GHE-f4ca5a00-16
0.284
MAT-POS-0c8fa4a7-3
0.284
PET-UNK-8df914d1-5
0.284
MAK-UNK-6ca90168-13
0.284
JAN-GHE-5a013bed-5
0.283
MAT-POS-bfb445d4-2
0.282
JAN-GHE-f4ca5a00-14
0.282
JAN-GHE-f4ca5a00-17
0.282
MIC-UNK-8373f97b-5
0.282
EDG-MED-0da5ad92-2
0.281
EDJ-MED-6e43a462-12
0.280
EDJ-MED-6e43a462-11
0.280
ALP-POS-8b8a49e1-8
0.280
BEN-DND-1e24cf73-1
0.279
MAT-POS-53907a1c-1
0.278
MAT-POS-0c8fa4a7-2
0.278
PET-UNK-158bee2a-1
0.277
VLA-UNK-4cf5aa07-1
0.277
ALP-POS-6495d03e-3
0.277
EDG-MED-0da5ad92-13
0.276
PET-UNK-f92d7c0c-7
0.275
JAN-GHE-5a013bed-6
0.274
EDJ-MED-c8e7a002-17
0.274
NAU-LAT-a5c7d7cb-14
0.274
ALP-POS-902f21bb-1
0.274
ROB-UNI-daaf9793-2
0.274
MIC-UNK-d935700b-2
0.274
EDJ-MED-6e43a462-4
0.274
EDJ-MED-239d8ca5-1
0.273
EDG-MED-0da5ad92-12
0.273
MAT-POS-14ad9fe9-1
0.273
EDJ-MED-49816e9b-3
0.273
MIC-UNK-b12b7f76-2
0.272
EDJ-MED-6e43a462-10
0.271
EDJ-MED-b24713dc-3
0.271
ALP-POS-cd485364-1
0.271
JOH-UNI-23d9e1b1-1
0.271
ALP-POS-79636100-3
0.270
BEN-DND-1e24cf73-6
0.270
PET-UNK-f92d7c0c-3
0.270
BEN-DND-02317c5c-8
0.269
PET-UNK-e44ffd04-1
0.269
NAU-LAT-a5c7d7cb-12
0.269
RUB-POS-1325a9ea-24
0.269
EDJ-MED-b24713dc-4
0.269
EDJ-MED-c8e7a002-4
0.269
CHO-MSK-00c5269a-5
0.268
PET-UNK-158bee2a-4
0.268
JAN-GHE-5a013bed-8
0.268
JAN-GHE-5a013bed-11
0.268
MIC-UNK-66895286-1
0.268
MED-COV-4280ac29-13
0.267
PET-UNK-8df914d1-2
0.267
EDJ-MED-6e43a462-9
0.267
MAT-POS-bb423b95-9
0.267
MAT-POS-bb423b95-4
0.267
ALP-POS-95b75b4d-5
0.267
JIN-POS-6dc588a4-7
0.267