Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N1CCCC2C=CC=C3C=NC=C1C32 |
MW: | 338.12 |
Fraction sp3: | 0.3 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 32.67 |
cLogP: | 4.16 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-0870516a-3
0.910
MIC-UNK-0870516a-1
0.648
MIC-UNK-0870516a-2
0.626
SAD-SAT-b55127ae-1
0.360
ALP-POS-cd485364-2
0.356
NAM-UNK-f7c77a48-4
0.356
SAM-UNK-2684b532-14
0.351
MAT-POS-7174c657-2
0.347
NAM-UNK-f7c77a48-3
0.341
ROB-CAM-6936528f-1
0.340
MIC-UNK-13557a72-1
0.337
MAT-POS-7174c657-3
0.320
MIC-UNK-42806bd5-2
0.315
MIC-UNK-fc94cdb5-1
0.315
ALP-POS-8b8a49e1-5
0.315
ALP-POS-90e38439-3
0.315
JAN-GHE-5a013bed-9
0.311
JAN-GHE-f4ca5a00-12
0.309
NAU-LAT-e1818702-1
0.309
EDJ-MED-c292668a-1
0.309
ALP-POS-8b8a49e1-7
0.308
MAT-POS-500ca5bf-2
0.304
MIC-UNK-42806bd5-1
0.304
ALP-POS-90e38439-2
0.304
MIC-UNK-4c7b8ba7-1
0.302
JOH-UNI-0e1753c1-2
0.300
JOH-UNI-0e1753c1-3
0.300
HYO-UNK-49a60884-1
0.300
MED-COV-4280ac29-15
0.300
AAR-POS-d2a4d1df-35
0.300
VLA-UNK-411a133b-1
0.298
NAU-LAT-e1818702-7
0.298
JAG-UCB-a3ef7265-17
0.298
MAT-POS-0c8fa4a7-4
0.297
ALP-POS-6495d03e-7
0.297
EDJ-MED-49816e9b-5
0.295
PET-UNK-f92d7c0c-1
0.295
PET-UNK-f92d7c0c-6
0.295
NAU-LAT-a5c7d7cb-14
0.294
ROB-UNI-daaf9793-2
0.294
MAK-UNK-6ca90168-13
0.293
MAT-POS-0c8fa4a7-3
0.293
JAN-GHE-f4ca5a00-16
0.293
PET-UNK-8df914d1-5
0.293
JAN-GHE-5a013bed-5
0.292
EDG-MED-0da5ad92-2
0.290
PET-UNK-f92d7c0c-5
0.290
PET-UNK-f92d7c0c-4
0.290
MIC-UNK-8373f97b-5
0.290
MAT-POS-bfb445d4-2
0.290
JAN-GHE-f4ca5a00-14
0.290
JAN-GHE-f4ca5a00-17
0.290
RUB-POS-1325a9ea-24
0.290
ALP-POS-8b8a49e1-8
0.289
EDJ-MED-6e43a462-12
0.288
JAN-GHE-5a013bed-1
0.287
MIC-UNK-8373f97b-4
0.287
BEN-DND-1e24cf73-1
0.287
VLA-UNK-4cf5aa07-1
0.286
MAT-POS-53907a1c-1
0.286
MAT-POS-0c8fa4a7-2
0.286
PET-UNK-158bee2a-1
0.286
ALP-POS-6495d03e-3
0.284
BEN-DND-1e24cf73-3
0.284
EDG-MED-0da5ad92-13
0.284
PET-UNK-f92d7c0c-7
0.283
JAN-GHE-5a013bed-6
0.283
EDJ-MED-c8e7a002-17
0.282
ALP-POS-902f21bb-1
0.282
MIC-UNK-d935700b-2
0.282
EDJ-MED-6e43a462-4
0.282
EDG-MED-0da5ad92-12
0.281
JOH-UNI-0e1753c1-1
0.281
EDJ-MED-49816e9b-3
0.281
EDJ-MED-239d8ca5-1
0.280
MAT-POS-14ad9fe9-1
0.280
MIC-UNK-b12b7f76-2
0.280
JOH-UNI-23d9e1b1-1
0.280
DAN-LON-a5fc619e-3
0.279
ALP-POS-cd485364-1
0.279
EDJ-MED-b24713dc-3
0.279
EDJ-MED-6e43a462-10
0.279
JOH-UNI-0e1753c1-5
0.279
PET-UNK-f92d7c0c-3
0.278
ALP-POS-79636100-3
0.278
BEN-DND-1e24cf73-7
0.278
BEN-DND-1e24cf73-6
0.278
DAN-LON-a5fc619e-4
0.277
BEN-DND-02317c5c-8
0.277
NAU-LAT-a5c7d7cb-12
0.277
PET-UNK-e44ffd04-1
0.277
VLA-UCB-00f2c2b3-7
0.277
MIC-UNK-66895286-1
0.277
PET-UNK-158bee2a-4
0.277
JAN-GHE-5a013bed-8
0.277
EDJ-MED-6e43a462-11
0.276
DAR-DIA-3e9bbd81-12
0.276
GIA-UNK-7337c2f3-2
0.276
MED-COV-4280ac29-13
0.276
EDJ-MED-6e43a462-9
0.275