Molecular Properties | |
SMILES: | CCNc1ncc(F)cc1CN1CCN(C(=O)CCl)CC1 |
MW: | 314.792 |
Fraction sp3: | 0.57 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 1.5355 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAR-DIA-fb20be43-4
0.691
BRU-LEF-ae0885ba-1
0.691
PAU-UNI-52c0427f-1
0.691
DAR-DIA-fb20be43-5
0.671
DAV-CRI-d1e0885a-2
0.526
JAN-GHE-fd8d85a5-1
0.521
DAR-DIA-fb20be43-3
0.500
JAN-GHE-fd8d85a5-6
0.475
SEL-UNI-cd366922-6
0.467
DAV-CRI-d1e0885a-3
0.463
NIR-THE-0d6461ce-6
0.434
TAM-UNI-d1c3dd9f-17
0.432
MED-COV-4280ac29-35
0.432
TAM-UNI-d1c3dd9f-18
0.432
DAR-DIA-fb20be43-2
0.430
MAK-UNK-af83ef51-27
0.429
JAN-GHE-fd8d85a5-3
0.425
SAD-SAT-65574d3f-10
0.421
DAV-CRI-d1e0885a-4
0.420
DRR-IMP-38dce17f-8
0.412
DAR-DIA-fb20be43-12
0.412
SAD-SAT-581007d4-1
0.411
MAK-UNK-7c9d1431-20
0.411
MED-COV-4280ac29-24
0.410
STU-CHA-464c0256-1
0.407
JOO-PER-d7ab4f65-1
0.407
DRR-IMP-38dce17f-2
0.405
NEH-REV-107bcf72-5
0.405
DRR-IMP-38dce17f-5
0.403
SAD-SAT-bc31ec01-1
0.403
SAD-SAT-5b1897b2-5
0.403
MAK-UNK-849bee6c-23
0.402
DAR-DIA-fb20be43-10
0.400
STU-CHA-bc0a9883-1
0.400
DAR-DIA-fb20be43-11
0.400
NAU-LAT-f723e322-1
0.400
JOK-SYG-302da050-1
0.400
DRR-IMP-38dce17f-6
0.400
NIR-THE-0d6461ce-7
0.400
DRR-IMP-38dce17f-4
0.397
JAN-UNI-2e92c4b1-3
0.392
PET-SGC-39d74636-2
0.392
DAR-DIA-fb20be43-6
0.388
DAR-DIA-fb20be43-17
0.387
SAD-SAT-5b1897b2-2
0.387
MAK-UNK-7c9d1431-14
0.385
DRR-IMP-38dce17f-7
0.384
MAK-UNK-6ca90168-14
0.384
JOK-SYG-302da050-2
0.382
MAK-UNK-af83ef51-29
0.381
PAU-UNI-8cdd41c7-1
0.380
MED-COV-4280ac29-31
0.380
JAN-GHE-fd8d85a5-10
0.380
AAR-POS-d2a4d1df-40
0.380
MAK-UNK-849bee6c-4
0.378
JOO-PER-58e158bd-1
0.376
DAR-DIA-fb20be43-7
0.376
DAR-DIA-fb20be43-16
0.376
TAM-UNI-d1c3dd9f-1
0.376
MAK-UNK-849bee6c-21
0.375
TAM-UNI-d1c3dd9f-16
0.373
MED-COV-4280ac29-37
0.373
AAR-POS-d2a4d1df-24
0.373
SAD-SAT-581007d4-2
0.373
DAR-DIA-fb20be43-18
0.372
MAK-UNK-849bee6c-7
0.372
DRR-IMP-38dce17f-3
0.371
MAK-UNK-7c9d1431-24
0.371
MAK-UNK-849bee6c-22
0.371
MAK-UNK-849bee6c-14
0.371
AAR-POS-0daf6b7e-13
0.370
LON-WEI-8f408cad-7
0.370
MAK-UNK-212f693e-8
0.370
DRR-IMP-38dce17f-1
0.370
JAN-GHE-fd8d85a5-5
0.369
STE-UNK-13e151dd-1
0.369
MAK-UNK-849bee6c-9
0.368
MAR-TRE-6a44bbf2-54
0.367
MAT-POS-ee51dedd-1
0.367
DAV-CRI-d1e0885a-1
0.367
MAK-UNK-7c9d1431-16
0.367
MAK-UNK-7c9d1431-29
0.366
NEH-REV-107bcf72-3
0.366
JAN-GHE-fd8d85a5-4
0.365
JON-UIO-066ce08b-10
0.365
MAK-UNK-af83ef51-22
0.365
DAR-DIA-fb20be43-9
0.364
MAK-UNK-af83ef51-31
0.363
HYO-UNK-50298ba0-1
0.361
MAK-UNK-849bee6c-20
0.360
MAR-LAB-ca4662a6-2
0.360
AAR-POS-d2a4d1df-35
0.360
HYO-UNK-49a60884-1
0.360
MED-COV-4280ac29-15
0.360
JOH-UNI-0e1753c1-3
0.360
TAM-UNI-d1c3dd9f-4
0.360
AHN-SAT-de2502ba-15
0.359
MAK-UNK-af83ef51-1
0.358
MAK-UNK-10dfa458-44
0.357
DAV-CRI-d1e0885a-5
0.357