Molecular Properties | |
SMILES: | CC(CO)(COc1c[nH]c2ccc(F)cc12)Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 488.003 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 9 |
TPSA: | 68.8 |
cLogP: | 3.8101 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-176ca439-6
1.000
MAK-UNK-176ca439-7
0.523
DRR-IMP-38dce17f-2
0.426
MAK-UNK-176ca439-5
0.403
MAK-UNK-72b7ba6b-1
0.403
AAR-POS-d2a4d1df-24
0.400
JOK-SYG-18591e8f-1
0.398
JOH-UNI-0e1753c1-3
0.375
HYO-UNK-49a60884-1
0.375
MED-COV-4280ac29-15
0.375
AAR-POS-d2a4d1df-35
0.375
MAK-UNK-849bee6c-9
0.367
SAD-SAT-5b1897b2-5
0.366
MAT-POS-ee51dedd-1
0.353
MAK-UNK-849bee6c-7
0.345
MAK-UNK-849bee6c-14
0.345
MAK-UNK-176ca439-4
0.345
MAK-UNK-3c359d2a-1
0.345
MAK-UNK-e4a48a85-7
0.345
TAM-UNI-d1c3dd9f-12
0.339
MAK-UNK-849bee6c-12
0.339
MAK-UNK-849bee6c-4
0.339
MAK-UNK-849bee6c-8
0.339
MAK-UNK-176ca439-2
0.336
MAK-UNK-849bee6c-6
0.336
MAK-UNK-10dfa458-45
0.333
MAK-UNK-849bee6c-15
0.333
MAK-UNK-cd94b63c-1
0.330
MAK-UNK-176ca439-3
0.330
MAK-UNK-af83ef51-20
0.328
MAK-UNK-7c9d1431-24
0.326
DRR-IMP-38dce17f-3
0.326
MAK-UNK-c74072e5-7
0.326
MED-COV-4280ac29-33
0.324
MAK-UNK-af83ef51-19
0.323
AHN-SAT-de2502ba-15
0.320
MAK-UNK-10dfa458-15
0.320
DRR-IMP-38dce17f-4
0.320
SAD-SAT-581007d4-1
0.317
JIA-UNI-93b03cae-1
0.317
SEL-UNI-cd366922-8
0.317
MAK-UNK-849bee6c-16
0.316
MAK-UNK-7c9d1431-16
0.314
MAR-TRE-6a44bbf2-54
0.314
MAK-UNK-849bee6c-3
0.314
MAK-UNK-849bee6c-17
0.314
MAK-UNK-849bee6c-13
0.314
MAK-UNK-849bee6c-5
0.314
DRR-IMP-38dce17f-1
0.313
JOK-SYG-302da050-1
0.311
DAR-DIA-fb20be43-11
0.311
NAU-LAT-f723e322-1
0.311
STU-CHA-bc0a9883-1
0.311
MAK-UNK-e4a48a85-19
0.308
TAM-UNI-d1c3dd9f-5
0.307
MAK-UNK-e4a48a85-27
0.306
VIT-UNK-2a0afa28-1
0.305
MED-COV-4280ac29-8
0.304
DAR-DIA-fb20be43-14
0.303
MAK-UNK-7c9d1431-18
0.303
VIT-UNK-2a0afa28-3
0.303
MAK-UNK-7c9d1431-14
0.302
AHN-SAT-02ef6d10-10
0.301
DAR-DIA-fb20be43-7
0.301
DAR-DIA-fb20be43-2
0.300
MED-COV-4280ac29-1
0.299
JAN-GHE-1d98ec1c-2
0.299
MED-COV-4280ac29-31
0.299
WIL-LEE-23e8b574-3
0.299
AAR-POS-d2a4d1df-40
0.299
MAK-UNK-af83ef51-21
0.297
JOK-SYG-302da050-2
0.297
MAK-UNK-af83ef51-1
0.296
MAK-UNK-7c9d1431-29
0.296
DAR-DIA-fb20be43-9
0.293
MAK-UNK-e4a48a85-26
0.293
PAU-UNI-8cdd41c7-1
0.293
DRR-IMP-38dce17f-6
0.293
MAK-UNK-e4a48a85-18
0.293
DAR-DIA-fb20be43-1
0.292
SAD-SAT-581007d4-2
0.291
MAK-UNK-af83ef51-27
0.290
SAD-SAT-65574d3f-10
0.290
KAT-UNK-b2a0d5b1-1
0.290
DUN-NEW-f8ce3686-24
0.289
TAM-UNI-d1c3dd9f-19
0.289
NAU-LAT-81109c57-6
0.289
SEA-TRI-67e8f1c7-1
0.289
MAK-UNK-15efde89-1
0.288
BEN-DND-03406596-10
0.288
JOH-UNI-23d9e1b1-1
0.288
MAR-TRE-6a44bbf2-18
0.288
LON-WEI-8f408cad-4
0.288
AAR-POS-d2a4d1df-23
0.288
MAK-UNK-e4a48a85-8
0.288
AAR-POS-0daf6b7e-13
0.287
MAK-UNK-212f693e-8
0.287
LON-WEI-8f408cad-7
0.287
SAD-SAT-581007d4-4
0.287
VIT-UNK-cff011c0-1
0.287