Molecular Properties | |
SMILES: | N#CCC1CN(C(=O)c2ccco2)CCN1C(=O)CCl |
MW: | 295.07 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 77.55 |
cLogP: | 1.09 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-987948f6-9
0.627
AAR-POS-d2a4d1df-29
0.470
MAR-TRE-6a44bbf2-61
0.470
MAK-UNK-3f402c2b-7
0.431
RAF-UNK-9885c2f5-1
0.421
SEL-UNI-cd366922-1
0.378
GIA-UNK-995df016-11
0.329
MAR-TRE-6a44bbf2-1
0.326
MAK-UNK-7c9d1431-28
0.299
ASH-UNK-e28bb067-9
0.294
DAN-LON-a5fc619e-10
0.292
MAK-UNK-10dfa458-39
0.289
MAK-UNK-6ca90168-14
0.282
DRR-IMP-38dce17f-7
0.282
SAD-SAT-c989feaa-2
0.281
LON-WEI-5e7d1b3e-45
0.280
MAT-POS-b5746674-36
0.280
LON-WEI-4d77710c-45
0.280
MED-COV-4280ac29-2
0.280
MAK-UNK-6ca90168-18
0.279
SAD-SAT-c989feaa-4
0.276
MAR-TRE-6a44bbf2-92
0.275
SAD-SAT-c989feaa-10
0.275
SAD-SAT-c989feaa-5
0.275
TAT-ENA-80bfd3e5-41
0.275
MAT-POS-ee51dedd-1
0.274
MAK-UNK-10799360-2
0.274
THO-SYG-f9b2970d-3
0.274
JUL-TUD-06b2044f-116
0.273
MIH-UNI-e573136b-3
0.272
DAN-LON-a5fc619e-4
0.270
STU-CHA-0be58c98-1
0.269
MAK-UNK-5d2caa6f-10
0.269
SEA-TRI-8252c13b-1
0.269
PAU-WEI-b9b69149-4
0.268
MED-COV-4280ac29-13
0.267
MAK-UNK-849bee6c-17
0.267
DRR-IMP-38dce17f-3
0.267
MAK-UNK-7c9d1431-24
0.267
TAT-ENA-80bfd3e5-10
0.267
SAD-SAT-c989feaa-1
0.266
MAK-UNK-987948f6-3
0.266
MAK-UNK-849bee6c-6
0.265
DAV-CRI-0207e898-1
0.265
MAK-UNK-af83ef51-2
0.265
MAK-UNK-10dfa458-40
0.264
SAD-SAT-89668ff1-1
0.264
MAR-TRE-6a44bbf2-29
0.262
MAK-UNK-3f402c2b-10
0.262
MAC-MCD-4707377b-1
0.261
MAK-UNK-6ca90168-17
0.261
SAD-SAT-3a925b8b-5
0.260
MAR-TRE-4b834d9a-51
0.259
MAR-TRE-6a44bbf2-28
0.259
MAK-UNK-7c9d1431-23
0.259
DAN-LON-a5fc619e-3
0.258
JOH-UNI-0e1753c1-5
0.258
MAK-UNK-10dfa458-42
0.258
MAK-UNK-849bee6c-8
0.257
SAD-SAT-3a925b8b-1
0.256
MAK-UNK-3f402c2b-4
0.256
MAK-UNK-6ca90168-9
0.256
DRR-IMP-38dce17f-2
0.256
UNK-UNK-2ede4078-77
0.256
NIM-UNI-13494739-2
0.256
NIM-UNI-13494739-12
0.256
NIM-UNI-13494739-11
0.255
SAD-SAT-c989feaa-8
0.255
MAK-UNK-849bee6c-9
0.255
MAK-UNK-849bee6c-13
0.255
MAK-UNK-6c8f5f75-2
0.253
DAN-PUR-3907f623-1
0.253
MAR-TRE-6a44bbf2-77
0.253
MAK-UNK-3f402c2b-25
0.253
MAR-TRE-0fda4e82-52
0.253
THO-SYG-f9b2970d-4
0.253
MAK-UNK-849bee6c-5
0.253
MAR-LAB-ff9967db-11
0.252
MAK-UNK-987948f6-2
0.250
MAK-UNK-95198336-9
0.250
TIM-UNK-6bd61028-1
0.250
AHN-SAT-de2502ba-1
0.250
MAK-UNK-6ca90168-7
0.250
SAD-SAT-edc8a235-7
0.250
BEN-DND-76ad4ac9-3
0.250
MAK-UNK-3f402c2b-27
0.250
MAK-UNK-ec98eaf6-51
0.250
DAN-LON-a5fc619e-1
0.250
MAR-TRE-2fd8122f-86
0.250
LON-WEI-9739a092-6
0.248
MIC-UNK-df342a3f-1
0.248
PAU-WEI-b9b69149-6
0.248
THO-SYG-f9b2970d-1
0.247
NIR-THE-c331be7a-2
0.247
NEH-REV-107bcf72-4
0.247
MAK-UNK-af83ef51-6
0.247
SWA-SYN-6423ea73-7
0.247
SWA-SYN-d2e6fa14-7
0.247
JOK-SYG-18591e8f-1
0.247
MAK-UNK-6ca90168-1
0.247