Molecular Properties | |
SMILES: | N#CC1CN(C(=O)c2ccco2)CCN1C(=O)CCl |
MW: | 281.06 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 77.55 |
cLogP: | 0.69 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
N-C-Hal or cyano methyl
LON-WEI-8f408cad-3
MAK-UNK-987948f6-8
0.627
MAR-TRE-6a44bbf2-61
0.508
AAR-POS-d2a4d1df-29
0.508
MAK-UNK-3f402c2b-7
0.463
RAF-UNK-9885c2f5-1
0.429
GIA-UNK-995df016-11
0.351
MAK-UNK-10dfa458-39
0.342
MAK-UNK-7c9d1431-28
0.319
ASH-UNK-e28bb067-9
0.317
SEL-UNI-cd366922-1
0.317
MAR-TRE-6a44bbf2-1
0.314
SAD-SAT-6b5a89f0-4
0.303
DRR-IMP-38dce17f-7
0.301
MAK-UNK-6ca90168-14
0.301
MAT-POS-ee51dedd-1
0.291
MAK-UNK-95198336-9
0.290
TAT-ENA-80bfd3e5-41
0.289
SAD-SAT-edc8a235-7
0.288
MAK-UNK-7c9d1431-24
0.286
MAK-UNK-3f402c2b-25
0.286
DRR-IMP-38dce17f-3
0.286
MED-COV-4280ac29-13
0.284
MAK-UNK-987948f6-3
0.284
TAT-ENA-80bfd3e5-10
0.282
MAK-UNK-af83ef51-2
0.282
MAK-UNK-6ca90168-17
0.281
MAK-UNK-95198336-10
0.281
MAK-UNK-6c8f5f75-1
0.281
LON-WEI-4d77710c-45
0.281
LON-WEI-5e7d1b3e-45
0.281
MAT-POS-b5746674-36
0.281
MAK-UNK-10dfa458-40
0.280
DAV-CRI-0207e898-1
0.280
SAD-SAT-3a925b8b-5
0.278
DRR-IMP-38dce17f-6
0.278
MAR-TRE-6a44bbf2-92
0.276
MAK-UNK-10799360-2
0.275
AAR-POS-0daf6b7e-16
0.274
MAK-UNK-6ca90168-9
0.273
DAN-LON-a5fc619e-5
0.273
MAK-UNK-849bee6c-7
0.273
DRR-IMP-38dce17f-2
0.273
MAR-TRE-4b834d9a-51
0.272
MAK-UNK-10dfa458-42
0.272
MAK-UNK-6c8f5f75-2
0.271
NIM-UNI-13494739-10
0.271
NIM-UNI-13494739-2
0.271
NIM-UNI-13494739-12
0.271
DAN-LON-a5fc619e-4
0.271
UNK-UNK-2ede4078-77
0.271
NIR-THE-0d6461ce-7
0.270
SEA-TRI-8252c13b-1
0.270
MAK-UNK-849bee6c-9
0.270
SAD-SAT-c989feaa-2
0.269
MAK-UNK-849bee6c-17
0.268
MAK-UNK-987948f6-2
0.268
LON-WEI-8f408cad-5
0.267
AAR-POS-0daf6b7e-17
0.267
AAR-POS-0daf6b7e-2
0.267
SIM-SYN-7db9eb24-1
0.267
DAN-LON-a5fc619e-1
0.265
AHN-SAT-de2502ba-1
0.265
MAK-UNK-6ca90168-7
0.265
MAK-UNK-6c8f5f75-3
0.265
MAK-UNK-6c8f5f75-4
0.265
SAD-SAT-6b5a89f0-5
0.265
DAN-LON-a5fc619e-10
0.264
MED-COV-4280ac29-25
0.264
TIM-UNK-6bd61028-1
0.264
SAD-SAT-89668ff1-4
0.264
AAR-POS-d2a4d1df-35
0.263
HYO-UNK-49a60884-1
0.263
NIM-UNI-43fe0159-3
0.263
MED-COV-4280ac29-15
0.263
JOH-UNI-0e1753c1-3
0.263
DRR-IMP-38dce17f-4
0.263
MAK-UNK-6ca90168-6
0.263
MAK-UNK-3f402c2b-10
0.263
SWA-SYN-6423ea73-7
0.263
MAR-TRE-6a44bbf2-29
0.263
SWA-SYN-d2e6fa14-7
0.263
JOK-SYG-18591e8f-1
0.263
MAK-UNK-af83ef51-6
0.263
MAR-TRE-2fd8122f-86
0.262
MAC-MCD-4707377b-1
0.262
SAD-SAT-c989feaa-4
0.262
MAK-UNK-6ca90168-18
0.262
SAD-SAT-c989feaa-10
0.261
SAD-SAT-c989feaa-5
0.261
MAK-UNK-849bee6c-14
0.261
SAD-SAT-3a925b8b-4
0.260
DRR-IMP-db50bf6e-1
0.260
MAK-UNK-7c9d1431-23
0.260
MAR-TRE-6a44bbf2-28
0.260
NIM-UNI-43fe0159-1
0.260
AAR-POS-d2a4d1df-24
0.260
MAK-UNK-3f402c2b-16
0.259
MAK-UNK-3f402c2b-26
0.259
GIA-UNK-7337c2f3-4
0.259
DUN-NEW-f8ce3686-22
0.259