Molecular Properties | |
SMILES: | O=C(CN1CCN(C(=O)CCl)CC1)Nc1cccc(F)c1 |
MW: | 313.1 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.65 |
cLogP: | 1.15 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7511056971 |
MolPort: | MolPort-004-520-594 |
MAR-TRE-6a44bbf2-47
0.635
MAR-TRE-6a44bbf2-12
0.578
TAT-ENA-80bfd3e5-30
0.529
DRR-IMP-38dce17f-2
0.493
MAR-TRE-6a44bbf2-27
0.486
NIR-THE-b7e8e081-2
0.473
BEN-DND-6de5dfa0-16
0.473
LON-WEI-b8d98729-4
0.453
JAN-GHE-1d98ec1c-7
0.453
LON-WEI-8f408cad-4
0.449
MAR-TRE-6a44bbf2-18
0.449
BEN-DND-03406596-10
0.449
AAR-POS-d2a4d1df-23
0.449
MAR-TRE-6a44bbf2-56
0.431
GIA-UNK-7337c2f3-5
0.408
AHN-SAT-de2502ba-15
0.397
GIA-UNK-4de5abb1-4
0.392
DRR-IMP-38dce17f-1
0.391
BEN-DND-03406596-3
0.390
BEN-DND-76ad4ac9-14
0.390
JOH-UNI-0e1753c1-3
0.380
MED-COV-4280ac29-15
0.380
AAR-POS-d2a4d1df-35
0.380
HYO-UNK-49a60884-1
0.380
BEN-DND-76ad4ac9-4
0.378
AAR-POS-d2a4d1df-24
0.375
SAD-SAT-581007d4-1
0.375
BEN-DND-76ad4ac9-7
0.373
MAK-UNK-7c9d1431-24
0.373
DRR-IMP-38dce17f-3
0.373
AHN-SAT-de2502ba-7
0.371
NIR-THE-0d6461ce-1
0.368
MAT-POS-ee51dedd-1
0.368
MAK-UNK-7c9d1431-29
0.368
MAK-UNK-7c9d1431-28
0.366
JON-MCD-47e58de1-1
0.365
MED-COV-4280ac29-1
0.365
MAK-UNK-7c9d1431-11
0.364
TAT-ENA-80bfd3e5-43
0.364
MAR-TRE-6a44bbf2-65
0.364
DAR-DIA-fb20be43-2
0.362
DRR-IMP-38dce17f-6
0.362
MAR-LAB-ca4662a6-2
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WIL-LEE-23e8b574-6
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NAU-LAT-f723e322-1
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DAR-DIA-fb20be43-11
0.356
STU-CHA-bc0a9883-1
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JOK-SYG-302da050-1
0.356
JOK-SYG-18591e8f-1
0.355
MAR-TRE-f5c2d31c-20
0.355
IND-SYN-6c8299e8-2
0.354
STE-UNK-13e151dd-1
0.354
SAD-SAT-65574d3f-9
0.352
BEN-DND-6de5dfa0-18
0.351
KAT-UNK-b2a0d5b1-1
0.351
SAD-SAT-5b1897b2-5
0.351
BEN-DND-03406596-7
0.350
BEN-DND-6de5dfa0-1
0.350
BEN-DND-09b88bf4-2
0.350
MAK-UNK-849bee6c-4
0.348
MAT-POS-162a9720-4
0.348
LON-WEI-8f408cad-5
0.347
AAR-POS-0daf6b7e-17
0.347
SAD-SAT-5b1897b2-4
0.347
DRR-IMP-38dce17f-5
0.347
MAR-TRE-74c6519b-64
0.347
MAK-UNK-e4a48a85-8
0.347
AAR-POS-d2a4d1df-40
0.346
MED-COV-4280ac29-31
0.346
BEN-DND-6de5dfa0-19
0.346
LON-WEI-120e5cf5-19
0.346
MAR-TRE-d0525fbf-48
0.344
TOB-UNK-c2aba166-1
0.344
PAU-UNI-8cdd41c7-1
0.343
DRR-IMP-db50bf6e-1
0.343
MAR-TRE-6a44bbf2-58
0.342
KAY-MCD-d0fe5261-1
0.342
DRR-IMP-dff87f5e-1
0.342
DRR-IMP-38dce17f-4
0.342
MAK-UNK-7c9d1431-21
0.342
NIL-NON-a189c016-1
0.342
DRR-IMP-dff87f5e-8
0.342
MAT-POS-162a9720-2
0.342
MED-COV-dea4df70-1
0.341
NIM-UNI-310206f0-5
0.341
MAR-TRE-0fda4e82-47
0.341
MAR-TRE-f5c2d31c-6
0.341
MAR-TRE-6c5ef77a-47
0.341
NIM-UNI-310206f0-54
0.340
NIM-UNI-310206f0-35
0.340
NIM-UNI-310206f0-21
0.340
SAD-SAT-5b1897b2-10
0.338
JIA-UNI-93b03cae-1
0.338
AAR-POS-d2a4d1df-32
0.338
LON-WEI-8f408cad-2
0.338
MAK-UNK-7c9d1431-20
0.338
AHN-SAT-de2502ba-14
0.338
SAD-SAT-65574d3f-1
0.338
MAR-TRE-6a44bbf2-4
0.338
STE-KUL-2e0d2e88-1
0.338