Molecular Properties | |
SMILES: | CCC(=O)N1CCN(Cc2cc(F)c(Cl)c3c(CC)c[nH]c23)CC1 |
MW: | 351.853 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 39.34 |
cLogP: | 3.577 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-20
0.800
BEN-VAN-d8fd1356-22
0.539
BEN-VAN-d8fd1356-26
0.424
BEN-VAN-d8fd1356-21
0.407
DAR-DIA-fb20be43-11
0.391
JOK-SYG-302da050-1
0.391
NAU-LAT-f723e322-1
0.391
STU-CHA-bc0a9883-1
0.391
JOK-SYG-302da050-2
0.389
DAR-DIA-fb20be43-15
0.376
JON-UIO-066ce08b-11
0.375
JOK-SYG-b9f02a42-2
0.357
JON-UIO-066ce08b-10
0.356
JOK-SYG-b9f02a42-1
0.351
DAR-DIA-fb20be43-14
0.351
BEN-VAN-d8fd1356-24
0.349
DUN-NEW-f8ce3686-24
0.347
MAK-UNK-212f693e-7
0.347
DAR-DIA-fb20be43-1
0.341
JOK-SYG-b9f02a42-3
0.340
NAU-LAT-f723e322-2
0.330
SAD-SAT-bc31ec01-1
0.321
AAR-POS-0daf6b7e-2
0.321
DAR-DIA-fb20be43-4
0.315
PAU-UNI-52c0427f-1
0.315
BRU-LEF-ae0885ba-1
0.315
JOH-MSK-d60b0211-1
0.312
PAT-UNK-b2d83456-5
0.312
PAT-UNK-b2d83456-4
0.312
NIR-THE-0d6461ce-3
0.310
DAR-DIA-fb20be43-5
0.308
SAM-UNK-903735bd-1
0.305
MED-COV-4280ac29-37
0.303
AHN-SAT-de2502ba-15
0.301
PAU-UNI-8cdd41c7-1
0.299
MAK-UNK-be5ffcbc-2
0.298
JUL-TUD-06b2044f-30
0.297
MAK-UNK-7c9d1431-20
0.296
SAD-SAT-581007d4-1
0.296
SAD-SAT-65574d3f-10
0.294
SAD-SAT-5b1897b2-5
0.294
JAN-GHE-6413aaf8-5
0.293
NEH-REV-107bcf72-5
0.293
DRR-IMP-38dce17f-8
0.292
HYO-UNK-50298ba0-1
0.292
DAR-DIA-fb20be43-2
0.292
DRR-IMP-38dce17f-1
0.291
KIM-UNI-7d12df64-1
0.291
JAN-GHE-6413aaf8-7
0.290
SEL-UNI-cd366922-6
0.287
DAV-CRI-d1e0885a-2
0.287
JAN-GHE-6413aaf8-9
0.287
NIR-THE-0d6461ce-2
0.287
JUL-TUD-06b2044f-29
0.286
KIM-UNI-7d12df64-3
0.286
MAK-UNK-7c9d1431-29
0.286
STU-CHA-5350f95a-1
0.284
MAK-UNK-e4a48a85-26
0.284
JAN-GHE-fd8d85a5-1
0.284
JOH-UNI-27ac80fd-24
0.284
AAR-POS-0daf6b7e-12
0.284
JOH-UNI-27ac80fd-23
0.284
TAM-UNI-d1c3dd9f-17
0.283
TAM-UNI-d1c3dd9f-4
0.281
MAK-UNK-be5ffcbc-4
0.281
NEH-REV-107bcf72-3
0.281
SAD-SAT-581007d4-2
0.280
JOO-PER-58e158bd-1
0.280
BEN-VAN-d8fd1356-25
0.280
DAR-DIA-fb20be43-3
0.280
BEN-VAN-c986b20b-13
0.278
DRR-IMP-38dce17f-2
0.277
SAD-SAT-5b1897b2-2
0.277
AAR-POS-d2a4d1df-41
0.276
TAT-ENA-80bfd3e5-20
0.276
JAN-GHE-fd8d85a5-10
0.276
MED-COV-4280ac29-31
0.276
AAR-POS-d2a4d1df-40
0.276
MAK-UNK-10dfa458-38
0.276
BEN-VAN-d8fd1356-29
0.276
SCO-VAN-260d9628-6
0.276
DAR-DIA-fb20be43-8
0.275
PAU-UNI-19862c28-1
0.275
JOO-PER-d7ab4f65-1
0.275
JAN-GHE-6413aaf8-6
0.273
STU-CHA-6cae54d3-1
0.273
JUL-TUD-06b2044f-72
0.272
DAV-CRI-d1e0885a-4
0.272
JAN-GHE-6413aaf8-1
0.271
TAM-UNI-d1c3dd9f-14
0.271
DAR-DIA-fb20be43-12
0.271
MAK-UNK-7c9d1431-21
0.271
SAM-UNK-83e03154-1
0.270
MIH-UNI-e573136b-5
0.270
TAM-UNI-d1c3dd9f-18
0.269
MED-COV-4280ac29-35
0.269
JAN-GHE-6413aaf8-8
0.269
MED-COV-4280ac29-15
0.268
JOH-UNI-0e1753c1-3
0.268
AAR-POS-d2a4d1df-35
0.268