Molecular Properties | |
SMILES: | N=CC1CN(Cc2cccc(Cl)c2)CCO1 |
MW: | 238.09 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 36.32 |
cLogP: | 2.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
Imines
acyclic C=N-H
imine2
Imine 3
AAR-POS-d2a4d1df-2
AAR-POS-0daf6b7e-29
0.508
DAN-LON-a5fc619e-4
0.446
MED-COV-4280ac29-13
0.431
JOH-UNI-0e1753c1-2
0.418
MAK-UNK-6ca90168-13
0.406
DAN-LON-a5fc619e-10
0.397
SAD-SAT-7d5528d9-21
0.397
AAR-POS-d2a4d1df-35
0.397
MED-COV-4280ac29-15
0.397
JOH-UNI-0e1753c1-3
0.397
MED-COV-4280ac29-2
0.395
DAN-LON-a5fc619e-5
0.388
JOH-UNI-23d9e1b1-1
0.386
SAD-SAT-7d5528d9-35
0.384
AVI-UNI-c9bf710f-1
0.372
SAD-SAT-7d5528d9-24
0.367
JOH-UNI-0e1753c1-1
0.365
AVI-UNI-70b60925-1
0.364
SAD-SAT-7d5528d9-11
0.349
MAK-UNK-ec98eaf6-45
0.345
SAD-SAT-7d5528d9-6
0.345
SAD-SAT-7d5528d9-49
0.341
DAN-LON-a5fc619e-1
0.333
SAD-SAT-7d5528d9-18
0.333
SAD-SAT-7d5528d9-36
0.330
DAN-LON-a5fc619e-8
0.325
AAR-POS-0daf6b7e-30
0.324
ERI-UCB-a0b0dbcb-12
0.322
SEA-TRI-146a67b6-1
0.322
SEA-TRI-9e600f3c-1
0.322
JOH-UNI-0e1753c1-5
0.321
DAN-LON-a5fc619e-3
0.321
SAD-SAT-c989feaa-7
0.321
SAD-SAT-c989feaa-6
0.321
SAD-SAT-7d5528d9-15
0.321
SAD-SAT-7d5528d9-13
0.318
JOH-UNI-0e1753c1-4
0.318
SAD-SAT-c989feaa-3
0.313
ALP-POS-91609ae9-1
0.312
SAD-SAT-7d5528d9-7
0.311
SAD-SAT-7d5528d9-42
0.311
SAD-SAT-c989feaa-5
0.310
DAR-DIA-0f7b7cd9-2
0.306
DAN-LON-a5fc619e-6
0.302
DAN-LON-a5fc619e-9
0.302
MAK-UNK-ec98eaf6-44
0.301
ALP-POS-91609ae9-2
0.301
DAN-LON-a5fc619e-2
0.300
DAN-LON-a5fc619e-7
0.299
MAK-UNK-10799360-33
0.297
MAK-UNK-ec98eaf6-46
0.295
MIC-UNK-13557a72-1
0.295
MAK-UNK-a7992eb3-22
0.286
MAK-UNK-a7992eb3-23
0.286
JOH-ILL-da934517-4
0.286
MAK-UNK-6ca90168-15
0.270
MAR-TRE-b77b7921-79
0.270
SAD-SAT-b55127ae-1
0.269
MAK-UNK-a7992eb3-20
0.266
AAR-RCN-28a8122f-1
0.266
NAM-UNK-f7c77a48-4
0.266
ALP-POS-91609ae9-3
0.263
MAT-POS-ee51dedd-1
0.263
JOH-ILL-da934517-1
0.261
DAR-DIA-0f7b7cd9-4
0.261
DAR-DIA-0f7b7cd9-5
0.261
MAK-UNK-176ca439-3
0.258
MAK-UNK-cd94b63c-1
0.258
SEA-TRI-fac72a44-1
0.255
MED-COV-4280ac29-14
0.253
JOO-PER-74f994a9-1
0.253
SAD-SAT-7d5528d9-20
0.253
SAD-SAT-7d5528d9-46
0.253
MAK-UNK-a7992eb3-10
0.253
MAK-UNK-a7992eb3-24
0.250
JAG-UCB-a3ef7265-17
0.250
SAD-SAT-7d5528d9-5
0.250
JAN-GHE-f4ca5a00-12
0.250
NAU-LAT-e1818702-7
0.250
NAU-LAT-e1818702-1
0.250
MAR-TRE-4b834d9a-80
0.250
SAD-SAT-7d5528d9-50
0.247
JAN-GHE-f4ca5a00-16
0.247
MIC-UNK-b12b7f76-2
0.247
NAM-UNK-f7c77a48-3
0.247
MED-COV-4280ac29-6
0.247
AAR-POS-d2a4d1df-24
0.247
MAR-TRE-b77b7921-33
0.245
JAN-GHE-f4ca5a00-14
0.244
AAR-RCN-845f9611-1
0.244
JOH-ILL-b8b12274-1
0.244
ALP-POS-8b8a49e1-7
0.244
PAT-UNK-b2d83456-1
0.244
VLA-UCB-05e51b3f-3
0.242
MED-COV-4280ac29-3
0.242
SAD-SAT-7d5528d9-52
0.242
MAR-TRE-b77b7921-62
0.242
JOH-ILL-da934517-2
0.242
EDJ-MED-50fe53e8-3
0.241
MED-COV-4280ac29-11
0.241