Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc(CCCNc3c[nH]c4ccc(F)cc34)c2)CC1 |
MW: | 442.966 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 51.37 |
cLogP: | 4.2347 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
MAK-UNK-69e28b36-1
0.523
MAK-UNK-176ca439-6
0.523
DRR-IMP-38dce17f-2
0.494
MAK-UNK-176ca439-5
0.468
MAK-UNK-72b7ba6b-1
0.468
MAK-UNK-849bee6c-9
0.420
JOK-SYG-18591e8f-1
0.413
AAR-POS-d2a4d1df-35
0.404
MED-COV-4280ac29-15
0.404
HYO-UNK-49a60884-1
0.404
JOH-UNI-0e1753c1-3
0.404
AAR-POS-d2a4d1df-24
0.400
MAT-POS-ee51dedd-1
0.394
MAK-UNK-849bee6c-8
0.385
MAK-UNK-e4a48a85-7
0.380
TAM-UNI-d1c3dd9f-12
0.375
VIT-UNK-2a0afa28-3
0.364
MAK-UNK-10dfa458-15
0.361
MAK-UNK-849bee6c-4
0.361
WIL-LEE-23e8b574-3
0.361
MAK-UNK-176ca439-2
0.358
MAK-UNK-849bee6c-7
0.356
JOK-SYG-302da050-1
0.355
NAU-LAT-f723e322-1
0.355
DAR-DIA-fb20be43-11
0.355
STU-CHA-bc0a9883-1
0.355
MAK-UNK-cd94b63c-1
0.352
MAK-UNK-176ca439-3
0.352
MAK-UNK-7c9d1431-24
0.352
DRR-IMP-38dce17f-3
0.352
SAD-SAT-5b1897b2-5
0.351
JAN-GHE-1d98ec1c-2
0.347
SAD-SAT-581007d4-1
0.340
JOK-SYG-302da050-2
0.339
AHN-SAT-02ef6d10-10
0.337
MAK-UNK-849bee6c-16
0.336
VIT-UNK-2a0afa28-1
0.336
SEL-UNI-cd366922-8
0.336
MAK-UNK-e4a48a85-18
0.333
MAK-UNK-849bee6c-3
0.333
MAK-UNK-849bee6c-6
0.333
MAK-UNK-10dfa458-45
0.330
MAK-UNK-3c359d2a-1
0.330
MAK-UNK-176ca439-4
0.330
MAK-UNK-849bee6c-14
0.330
VIT-UNK-cff011c0-2
0.330
DRR-IMP-38dce17f-4
0.330
JIA-UNI-93b03cae-1
0.326
MAK-UNK-af83ef51-20
0.325
MAK-UNK-849bee6c-12
0.324
MAR-TRE-6a44bbf2-3
0.324
MAK-UNK-7c9d1431-14
0.323
MAR-TRE-6a44bbf2-54
0.323
KAT-UNK-b2a0d5b1-1
0.323
MAK-UNK-7c9d1431-16
0.323
MAK-UNK-212f693e-8
0.323
DRR-IMP-38dce17f-1
0.323
LON-WEI-8f408cad-7
0.323
AAR-POS-0daf6b7e-13
0.323
MAK-UNK-849bee6c-17
0.322
MAK-UNK-849bee6c-5
0.321
DAR-DIA-fb20be43-2
0.320
MAK-UNK-10572812-8
0.320
AAR-POS-d2a4d1df-40
0.320
MED-COV-4280ac29-31
0.320
MAK-UNK-849bee6c-15
0.319
MAK-UNK-7c9d1431-29
0.319
DUN-NEW-f8ce3686-24
0.319
TAM-UNI-d1c3dd9f-19
0.319
NAU-LAT-81109c57-6
0.319
LON-WEI-120e5cf5-18
0.318
MED-COV-4280ac29-1
0.317
AHN-SAT-de2502ba-15
0.316
JOH-UNI-27ac80fd-23
0.316
AAR-POS-0daf6b7e-12
0.316
VIT-UNK-cff011c0-1
0.316
MAK-UNK-be5ffcbc-7
0.315
DRR-IMP-38dce17f-6
0.315
PAU-UNI-8cdd41c7-1
0.315
MAK-UNK-af83ef51-21
0.314
BEN-DND-76ad4ac9-3
0.314
MAR-TRE-6a44bbf2-47
0.313
MAK-UNK-be5ffcbc-1
0.312
DAR-DIA-fb20be43-9
0.312
DAR-DIA-fb20be43-1
0.311
MAK-UNK-7c9d1431-18
0.311
MAK-UNK-849bee6c-13
0.310
JOK-SYG-b9f02a42-1
0.310
NIR-THE-0d6461ce-3
0.310
MAK-UNK-15efde89-1
0.309
TAM-UNI-d1c3dd9f-15
0.309
MAK-UNK-af83ef51-19
0.309
MED-COV-4280ac29-24
0.308
NIM-UNI-310206f0-66
0.308
NAU-LAT-81109c57-8
0.308
MED-COV-4280ac29-33
0.307
MIH-UNI-e573136b-4
0.306
DRR-IMP-38dce17f-7
0.305
MAK-UNK-6ca90168-14
0.305
MAK-UNK-7c9d1431-28
0.305