Molecular Properties | |
SMILES: | N#COC1CCCC(Oc2cccc(CN3CCN(C(=O)CCl)CC3)c2)C1 |
MW: | 391.17 |
Fraction sp3: | 0.6 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 65.8 |
cLogP: | 2.76 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
cyanate/aminonitrile/thiocyanate
Filter67_S_or_O_C_triplebond_N
LON-WEI-8f408cad-3
MAK-UNK-176ca439-4
0.750
MAK-UNK-3c359d2a-1
0.750
MAK-UNK-af83ef51-19
0.634
MAK-UNK-10dfa458-14
0.580
MAK-UNK-849bee6c-12
0.484
MAT-POS-ee51dedd-1
0.470
AAR-POS-d2a4d1df-35
0.468
HYO-UNK-49a60884-1
0.468
MED-COV-4280ac29-15
0.468
JOH-UNI-0e1753c1-3
0.468
MAK-UNK-849bee6c-13
0.459
MAK-UNK-af83ef51-20
0.446
AAR-POS-d2a4d1df-24
0.444
MAK-UNK-af83ef51-21
0.442
DRR-IMP-38dce17f-2
0.439
MAK-UNK-849bee6c-7
0.435
MAK-UNK-849bee6c-14
0.432
JOK-SYG-18591e8f-1
0.424
MAK-UNK-849bee6c-6
0.418
MAK-UNK-849bee6c-5
0.418
MAK-UNK-849bee6c-9
0.415
MAK-UNK-849bee6c-4
0.408
DRR-IMP-38dce17f-7
0.402
MAK-UNK-6ca90168-14
0.402
MAK-UNK-176ca439-3
0.400
MAK-UNK-cd94b63c-1
0.400
MAK-UNK-849bee6c-15
0.398
MAK-UNK-849bee6c-16
0.394
DRR-IMP-38dce17f-3
0.392
MAK-UNK-7c9d1431-24
0.392
MAK-UNK-849bee6c-3
0.388
MAK-UNK-849bee6c-17
0.388
DRR-IMP-38dce17f-4
0.381
MAK-UNK-849bee6c-8
0.379
MAK-UNK-e4a48a85-7
0.373
SAD-SAT-5b1897b2-5
0.371
MAK-UNK-7c9d1431-18
0.370
TAM-UNI-d1c3dd9f-12
0.367
JOH-UNI-0e1753c1-2
0.365
DRR-IMP-38dce17f-1
0.357
MAK-UNK-10dfa458-38
0.356
MAK-UNK-6ca90168-13
0.356
MAK-UNK-7c9d1431-16
0.356
MAK-UNK-7c9d1431-14
0.356
MAR-TRE-6a44bbf2-54
0.356
MAK-UNK-7c9d1431-29
0.354
MAK-UNK-176ca439-2
0.350
DRR-IMP-38dce17f-6
0.349
PAU-UNI-8cdd41c7-1
0.349
MAK-UNK-e4a48a85-18
0.349
DAR-DIA-fb20be43-6
0.347
SAD-SAT-581007d4-2
0.345
JIA-UNI-93b03cae-1
0.345
SEL-UNI-cd366922-7
0.344
MED-COV-4280ac29-1
0.342
AAR-POS-0daf6b7e-13
0.341
LON-WEI-8f408cad-7
0.341
MAK-UNK-212f693e-8
0.341
JOH-UNI-0e1753c1-1
0.341
MAK-UNK-e4a48a85-26
0.340
MAK-UNK-e4a48a85-19
0.339
STE-KUL-2e0d2e88-7
0.337
MED-COV-4280ac29-24
0.337
DAR-DIA-fb20be43-7
0.337
DAV-CRI-d1e0885a-3
0.337
DAR-DIA-fb20be43-8
0.333
MAK-UNK-69e28b36-1
0.333
MAK-UNK-176ca439-6
0.333
TAM-UNI-d1c3dd9f-16
0.333
AHN-SAT-de2502ba-15
0.333
PAU-UNI-19862c28-1
0.333
MAK-UNK-176ca439-7
0.330
TAM-UNI-d1c3dd9f-6
0.330
SAD-SAT-581007d4-7
0.330
MAT-POS-2db6411e-2
0.330
SAD-SAT-581007d4-1
0.330
MAK-UNK-e4a48a85-8
0.328
MAK-UNK-e4a48a85-27
0.327
MED-COV-4280ac29-19
0.327
MED-COV-4280ac29-8
0.327
MED-COV-4280ac29-25
0.327
TAM-UNI-d1c3dd9f-18
0.327
DAV-CRI-d1e0885a-1
0.326
PAT-UNK-b2d83456-1
0.326
JOH-UNI-23d9e1b1-1
0.326
MAK-UNK-c74072e5-7
0.325
MAK-UNK-849bee6c-19
0.324
DAR-DIA-fb20be43-3
0.323
JOO-PER-58e158bd-1
0.323
HYO-UNK-50298ba0-1
0.323
MED-COV-4280ac29-31
0.323
AAR-POS-d2a4d1df-40
0.323
MED-COV-4280ac29-33
0.323
SAD-SAT-581007d4-4
0.323
DRR-IMP-38dce17f-5
0.322
MAK-UNK-7c9d1431-28
0.322
AAR-POS-0daf6b7e-17
0.322
LON-WEI-8f408cad-5
0.322
MAK-UNK-849bee6c-1
0.321
ANT-STE-dbb91f63-2
0.320