Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N1CCOC2C=CC=C3C=NC=C1C32 |
MW: | 340.1 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 41.9 |
cLogP: | 3.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-0870516a-1
0.831
MIC-UNK-0870516a-4
0.626
MIC-UNK-0870516a-3
0.606
ROB-CAM-6936528f-1
0.347
SAM-UNK-2684b532-14
0.343
MAT-POS-7174c657-2
0.340
ALP-POS-cd485364-2
0.337
NAM-UNK-f7c77a48-3
0.333
MIC-UNK-13557a72-1
0.330
SAD-SAT-b55127ae-1
0.323
NAM-UNK-f7c77a48-4
0.319
JAN-GHE-f4ca5a00-12
0.316
NAU-LAT-e1818702-1
0.316
ASH-SAT-43770c7d-3
0.312
JAN-GHE-5a013bed-1
0.309
NAU-LAT-e1818702-7
0.305
JAG-UCB-a3ef7265-17
0.305
EDJ-MED-c292668a-1
0.303
PET-UNK-f92d7c0c-5
0.298
PET-UNK-f92d7c0c-4
0.298
VLA-UNK-411a133b-2
0.295
MIC-UNK-42806bd5-2
0.295
MIC-UNK-fc94cdb5-1
0.295
ALP-POS-8b8a49e1-5
0.295
ALP-POS-90e38439-3
0.295
MED-COV-4280ac29-15
0.293
AAR-POS-d2a4d1df-35
0.293
JOH-UNI-0e1753c1-3
0.293
HYO-UNK-49a60884-1
0.293
PET-UNK-8df914d1-4
0.292
VLA-UNK-411a133b-1
0.292
ALP-POS-6495d03e-7
0.291
EDJ-MED-49816e9b-5
0.289
PET-UNK-f92d7c0c-1
0.289
PET-UNK-f92d7c0c-6
0.289
MAT-POS-7174c657-3
0.288
ALP-POS-8b8a49e1-7
0.287
NAU-LAT-e1818702-10
0.287
JAN-GHE-5a013bed-7
0.287
MAT-POS-0c8fa4a7-3
0.287
JOH-UNI-ee5ed7c8-12
0.287
JOH-UNI-3fc3434e-12
0.287
JAN-GHE-5a013bed-5
0.286
PET-UNK-f92d7c0c-3
0.286
ALP-POS-79636100-3
0.284
BEN-DND-02317c5c-8
0.284
MAT-POS-bfb445d4-2
0.284
NAU-LAT-a5c7d7cb-12
0.284
PET-UNK-e44ffd04-1
0.284
EDJ-MED-6e43a462-12
0.283
MED-COV-4280ac29-13
0.283
EDJ-MED-50fe53e8-3
0.282
JIN-POS-6dc588a4-2
0.282
BEN-DND-1e24cf73-1
0.282
MAT-POS-53907a1c-1
0.280
MAT-POS-0c8fa4a7-2
0.280
PET-UNK-158bee2a-1
0.280
VLA-UNK-4cf5aa07-1
0.280
JOH-UNI-0e1753c1-2
0.280
ALP-POS-6495d03e-3
0.279
MAT-POS-0c8fa4a7-4
0.279
NAU-LAT-e1818702-8
0.279
EDJ-MED-50fe53e8-4
0.279
BEN-DND-02317c5c-9
0.279
DAN-LON-a5fc619e-10
0.279
JAG-UCB-a3ef7265-15
0.278
EDG-MED-0da5ad92-16
0.278
PET-UNK-f92d7c0c-7
0.277
JAN-GHE-5a013bed-9
0.277
EDJ-MED-c8e7a002-17
0.276
ALP-POS-902f21bb-1
0.276
MIC-UNK-d935700b-2
0.276
JOH-UNI-3fc3434e-4
0.276
JOH-UNI-ee5ed7c8-4
0.276
EDG-MED-0da5ad92-12
0.276
EDJ-MED-49816e9b-3
0.276
SEA-TRI-146a67b6-1
0.275
MIC-UNK-b12b7f76-2
0.275
JAN-GHE-f4ca5a00-16
0.275
PET-UNK-8df914d1-5
0.275
MAK-UNK-6ca90168-13
0.274
JOH-UNI-23d9e1b1-1
0.274
ALP-POS-cd485364-1
0.274
JOH-UNI-a38a7bdd-3
0.274
EDJ-MED-6e43a462-10
0.274
BEN-DND-1e24cf73-6
0.273
SAD-SAT-7d5528d9-21
0.273
VLA-UCB-00f2c2b3-7
0.272
JAN-GHE-f4ca5a00-14
0.272
JAN-GHE-f4ca5a00-17
0.272
RUB-POS-1325a9ea-24
0.272
DAN-LON-a5fc619e-4
0.272
EDG-MED-0da5ad92-2
0.271
MAT-POS-500ca5bf-2
0.271
MIC-UNK-66895286-1
0.271
MIC-UNK-42806bd5-1
0.271
ALP-POS-90e38439-2
0.271
BAR-COM-ebf5acce-2
0.270
MIC-UNK-4c7b8ba7-1
0.270
JOH-IMS-1436231f-6
0.270