Molecular Properties | |
SMILES: | O=C(C(F)Cl)N1CCN(Cc2cccc3ccccc23)CC1 |
MW: | 320.795 |
Fraction sp3: | 0.35 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 3.0184 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-047-567-522 |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
secondary_halide_sulfate
AAR-POS-d2a4d1df-40
0.667
MED-COV-4280ac29-31
0.667
JOO-IND-6372a4f3-4
0.641
JOO-IND-6372a4f3-5
0.603
KRI-MAR-d2e3ef86-6
0.500
MAK-UNK-90d0606b-7
0.494
DAR-DIA-fb20be43-2
0.453
DAR-DIA-fb20be43-9
0.415
PAU-UNI-19862c28-1
0.410
DAR-DIA-fb20be43-8
0.410
MIH-UNI-e573136b-4
0.407
MAT-POS-4e253971-2
0.405
MIH-UNI-e573136b-2
0.400
DAR-DIA-fb20be43-7
0.395
MIH-UNI-e573136b-3
0.391
DAR-DIA-fb20be43-6
0.390
MAK-UNK-3f402c2b-14
0.388
JON-UIO-066ce08b-9
0.387
JON-UIO-066ce08b-11
0.387
JON-UIO-066ce08b-16
0.367
MIH-UNI-e573136b-1
0.353
MAK-UNK-e05327b2-8
0.341
MED-COV-4280ac29-5
0.337
PAU-UNI-b2b6b158-1
0.333
UNK-UNK-2ede4078-6
0.329
JON-UIO-066ce08b-15
0.326
VIT-UNK-cff011c0-2
0.326
MAT-POS-4e253971-1
0.321
MAK-UNK-7c9d1431-20
0.320
TAM-UNI-d1c3dd9f-20
0.319
MAK-UNK-af83ef51-10
0.310
MIC-UNK-a28eba03-2
0.309
STE-UNK-13e151dd-1
0.306
MIH-UNI-e573136b-5
0.305
MAK-UNK-6ca90168-1
0.304
PAT-UNK-b2d83456-4
0.303
STE-KUL-2e0d2e88-2
0.302
MAR-TRE-b77b7921-50
0.302
ALP-POS-3fc1724e-3
0.301
JOH-UNI-0e1753c1-1
0.300
DRR-IMP-38dce17f-2
0.299
JUL-TUD-06b2044f-57
0.298
DUN-NEW-f8ce3686-24
0.298
VIT-UNK-cff011c0-1
0.295
SEL-UNI-cd366922-6
0.293
DRR-IMP-db50bf6e-4
0.293
MAR-TRE-f6f5f473-10
0.292
MAK-UNK-6435e6c2-2
0.292
BOG-INS-0b2b845a-1
0.290
DAR-DIA-fb20be43-12
0.289
MAK-UNK-c74072e5-2
0.289
MAK-UNK-6ca90168-2
0.287
BOG-INS-bdba9cfb-1
0.287
MIC-UNK-a28eba03-4
0.286
JAN-GHE-6413aaf8-5
0.284
AAR-UNI-c25c2f1e-99
0.284
JUL-TUD-06b2044f-128
0.284
JOO-PER-58e158bd-1
0.284
MIC-UNK-a28eba03-1
0.284
HYO-UNK-50298ba0-1
0.282
AHN-SAT-02ef6d10-10
0.282
AAR-POS-d2a4d1df-41
0.280
TAT-ENA-80bfd3e5-20
0.280
JAN-GHE-fd8d85a5-10
0.280
RAM-SYN-2a37ce6c-1
0.279
MED-COV-4280ac29-37
0.279
JAN-GHE-fd8d85a5-8
0.279
MAK-UNK-10799360-35
0.278
MAK-UNK-7c9d1431-24
0.278
DRR-IMP-38dce17f-3
0.278
JAN-GHE-6413aaf8-9
0.278
AAR-POS-0daf6b7e-17
0.276
SAD-SAT-bc31ec01-1
0.276
LON-WEI-8f408cad-5
0.276
KIM-UNI-7d12df64-3
0.275
MAK-UNK-e4a48a85-26
0.275
SAD-SAT-1f400d17-1
0.274
PAU-WEI-3e86dfd8-1
0.274
NAU-LAT-a5c7d7cb-5
0.274
JOO-IND-3132366c-1
0.274
MIC-UNK-a28eba03-3
0.273
TAM-UNI-d1c3dd9f-18
0.273
DAR-DIA-8e329c92-9
0.272
BEN-VAN-d8fd1356-21
0.271
KIM-UNI-7d12df64-2
0.271
SAD-SAT-581007d4-1
0.269
AAR-POS-d2a4d1df-24
0.269
MAK-UNK-902cc841-1
0.269
MAR-TRE-f6f5f473-32
0.269
DAR-DIA-6a49afbe-4
0.267
ANT-OPE-d972fbad-1
0.267
ALP-POS-3fc1724e-4
0.267
STU-CHA-0f79177c-1
0.266
NEH-REV-107bcf72-5
0.266
PAT-UNK-b2d83456-1
0.266
JOH-UNI-ea1df7a8-1
0.265
KIM-UNI-7d12df64-1
0.265
BEN-VAN-d8fd1356-24
0.264
MED-COV-dea4df70-1
0.264
NAU-LAT-a5c7d7cb-1
0.264