Molecular Properties | |
SMILES: | N#Cc1cccc(NC2CCN(C(=O)CCl)C2)c1 |
MW: | 263.08 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.13 |
cLogP: | 1.81 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-26584265 |
Enamine SCR: | Z3766265121 |
Mcule: | MCULE-3960640963 |
MolPort: | MolPort-047-106-403 |
DAN-MCD-02570321-1
0.430
NIR-THE-0d6461ce-1
0.427
MAK-UNK-10dfa458-40
0.410
MAT-POS-ee51dedd-1
0.408
SAD-SAT-c989feaa-2
0.398
NIM-UNI-310206f0-35
0.384
DAR-DIA-3e9bbd81-11
0.373
NIM-UNI-310206f0-21
0.370
WAR-XCH-bdd24732-19
0.358
NIR-THE-0d6461ce-7
0.356
NIR-THE-c331be7a-2
0.349
MAK-UNK-10dfa458-41
0.345
SAD-SAT-edc8a235-7
0.343
SWA-SYN-d2e6fa14-7
0.342
SWA-SYN-6423ea73-7
0.342
MAK-UNK-212f693e-13
0.338
TAM-UNI-d1c3dd9f-18
0.337
PAU-WEI-b9b69149-4
0.337
DAR-DIA-fb20be43-3
0.333
MAK-UNK-6ca90168-14
0.333
DRR-IMP-38dce17f-7
0.333
ZAC-WAB-0847d168-1
0.333
DAR-DIA-23aa0b97-4
0.333
TAM-UNI-d1c3dd9f-16
0.329
JOR-UNI-61e7b1d5-2
0.329
WAR-XCH-eb7b662f-1
0.329
ANN-UNI-26382800-4
0.329
DAR-DIA-23aa0b97-5
0.329
MIC-UNK-df342a3f-1
0.326
PAU-WEI-b9b69149-6
0.326
MAK-UNK-10dfa458-42
0.326
MAK-UNK-849bee6c-9
0.326
NIR-THE-0d6461ce-6
0.326
MIC-UNK-2744a8e2-3
0.323
TAM-UNI-d1c3dd9f-17
0.322
NIR-THE-0d6461ce-9
0.321
PAT-UNK-b2d83456-1
0.321
DAR-DIA-3e9bbd81-16
0.320
LON-WEI-120e5cf5-19
0.318
GIA-UNK-a79af1bc-1
0.316
PAU-WEI-b9b69149-5
0.316
MAK-UNK-987948f6-3
0.316
NIM-UNI-310206f0-30
0.316
JAN-GHE-fd8d85a5-8
0.314
MIC-UNK-2744a8e2-5
0.313
DAN-LON-a5fc619e-6
0.311
NIR-THE-0d6461ce-5
0.311
BRU-LEF-ae0885ba-1
0.310
DAR-DIA-fb20be43-4
0.310
PAU-UNI-52c0427f-1
0.310
MIC-UNK-2744a8e2-6
0.310
VIK-SYN-9a3d118a-8
0.310
DAN-LON-a5fc619e-1
0.310
MIC-UNK-1e397c67-1
0.309
MAK-UNK-849bee6c-8
0.309
MIC-UNK-2744a8e2-13
0.309
MAK-UNK-849bee6c-4
0.309
SAD-SAT-29425be4-9
0.309
AAR-UNI-c25c2f1e-102
0.309
AAR-POS-0daf6b7e-5
0.308
MIC-UNK-e8a42ca9-1
0.307
SAD-SAT-89668ff1-4
0.307
SAD-SAT-c989feaa-3
0.307
MIC-UNK-df342a3f-2
0.306
MAK-UNK-849bee6c-3
0.306
TRY-UNI-714a760b-24
0.306
MAK-UNK-6c8f5f75-2
0.306
DAR-DIA-03336633-4
0.305
MAK-UNK-6ca90168-9
0.304
LON-WEI-120e5cf5-15
0.304
MAR-TRE-6a44bbf2-86
0.304
MIC-UNK-e8a42ca9-2
0.303
DAR-DIA-23aa0b97-3
0.302
DAR-DIA-23aa0b97-8
0.301
DRR-IMP-dff87f5e-9
0.300
DAR-DIA-fb20be43-6
0.300
AVI-UNI-70b60925-1
0.299
MAK-UNK-6c8f5f75-1
0.299
MAK-UNK-10dfa458-38
0.298
MIC-UNK-2744a8e2-2
0.298
LON-WEI-120e5cf5-2
0.298
LON-WEI-120e5cf5-11
0.298
MED-COV-4280ac29-34
0.297
DAR-DIA-23aa0b97-19
0.297
DAN-LON-a5fc619e-9
0.297
SAD-SAT-f2e2579e-10
0.297
BEN-DND-76ad4ac9-4
0.296
ANN-UNI-26382800-6
0.296
DAR-DIA-fb20be43-16
0.296
TAM-UNI-d1c3dd9f-1
0.296
AAR-POS-d2a4d1df-35
0.295
MED-COV-4280ac29-15
0.295
HYO-UNK-49a60884-1
0.295
JOH-UNI-0e1753c1-3
0.295
DAR-DIA-3e9bbd81-7
0.295
MAK-UNK-ec98eaf6-40
0.295
MAK-UNK-10dfa458-44
0.294
MIC-UNK-2744a8e2-10
0.294
JON-MCD-47e58de1-1
0.293
THO-SYG-f9b2970d-2
0.293