Molecular Properties | |
SMILES: | C=CC(=O)Nc1cc(F)cc(N2CCCC2)c1 |
MW: | 234.274 |
Fraction sp3: | 0.31 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 2.5504 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-7522289 |
Enamine REAL: | Z2517211717 |
Enamine Extended REAL: | m_273270____12942954____10884640 |
Mcule: | MCULE-7859289474 |
AAR-POS-d2a4d1df-1
MAK-UNK-10dfa458-3
0.353
SAD-SAT-1f400d17-2
0.344
DAR-DIA-0cde14eb-22
0.329
DAR-DIA-0cde14eb-20
0.321
DAR-DIA-0cde14eb-21
0.310
DAR-DIA-0cde14eb-23
0.310
DAR-DIA-0cde14eb-24
0.300
AHN-SAT-02ef6d10-2
0.296
DAV-IMP-59dd6621-1
0.292
MAK-UNK-ca11b4f7-2
0.288
JOO-IND-6372a4f3-1
0.288
DAR-DIA-0cde14eb-18
0.281
RAL-MED-2de63afb-9
0.278
DAR-DIA-0cde14eb-27
0.278
SAD-SAT-f0a2747f-4
0.274
DAR-DIA-0cde14eb-16
0.261
SAD-SAT-1f400d17-10
0.257
PAT-UNK-b2d83456-3
0.257
AAR-UNI-c25c2f1e-87
0.256
DAR-DIA-0cde14eb-17
0.253
DAR-DIA-0cde14eb-19
0.253
DAR-DIA-0cde14eb-25
0.253
DAR-DIA-0cde14eb-28
0.250
DAR-DIA-0cde14eb-26
0.247
SAD-SAT-24589cd1-2
0.247
SAD-SAT-f0a2747f-5
0.247
DAR-DIA-0cde14eb-29
0.245
DAR-DIA-0cde14eb-30
0.240
JAG-SYN-9c2cd0bd-3
0.236
AHN-SAT-02ef6d10-10
0.236
MAR-TRE-c317dd82-23
0.236
ANT-OPE-d972fbad-1
0.235
MAK-UNK-6ca90168-27
0.234
DAV-IMP-59dd6621-17
0.234
AHN-SAT-02ef6d10-3
0.232
AGN-NEW-63f62ae9-2
0.228
ALE-MCD-a1893bfb-1
0.224
SAD-SAT-1f400d17-8
0.224
DAV-IMP-59dd6621-16
0.224
MAK-UNK-7a704a63-20
0.222
MAK-UNK-7a704a63-17
0.222
MAK-UNK-c8c8f7e2-40
0.222
MAR-TRE-f5c2d31c-7
0.222
JAN-GHE-fd8d85a5-10
0.221
LOR-NOR-30067bb9-1
0.221
MAK-UNK-6ca90168-28
0.221
MAK-UNK-7a704a63-6
0.219
MAK-UNK-c8c8f7e2-11
0.219
BEN-DND-03ad4429-3
0.219
MAK-UNK-10dfa458-5
0.219
WEI-UNI-64684f14-3
0.218
LON-WEI-adc59df6-95
0.217
LON-WEI-af038623-3
0.217
ISA-SCH-8e98219b-2
0.216
SAD-SAT-6b5a89f0-9
0.216
KIM-UNI-7d12df64-3
0.213
MAK-UNK-7a704a63-23
0.213
MAR-TRE-6a44bbf2-3
0.212
NIR-THE-b7e8e081-1
0.212
WIL-LEE-23e8b574-8
0.212
JOH-IMS-0780e8d1-2
0.212
DAV-IMP-59dd6621-9
0.211
AHN-SAT-de2502ba-19
0.211
MED-COV-4280ac29-22
0.209
MAK-UNK-6435e6c2-4
0.208
SAD-SAT-f0a2747f-8
0.208
SWA-SYN-d2e6fa14-10
0.208
IND-SYN-6c8299e8-8
0.208
SWA-SYN-6423ea73-9
0.208
MAK-UNK-c8c8f7e2-29
0.208
AHN-SAT-de2502ba-6
0.208
MAR-TRE-6a44bbf2-43
0.208
SAD-SAT-1f400d17-3
0.207
ALP-POS-bad7201a-2
0.206
MAT-POS-162a9720-4
0.206
MAK-UNK-c8c8f7e2-15
0.205
MAK-UNK-7a704a63-2
0.205
MAK-UNK-c8c8f7e2-26
0.205
MAK-UNK-7a704a63-12
0.205
DAV-IMP-59dd6621-23
0.205
MAK-UNK-c8c8f7e2-14
0.205
MAK-UNK-7a704a63-8
0.205
MAK-UNK-7a704a63-13
0.205
MAK-UNK-c8c8f7e2-30
0.205
BEN-DND-6de5dfa0-19
0.205
MAK-UNK-c8c8f7e2-23
0.205
MAK-UNK-7a704a63-15
0.205
AHN-SAT-de2502ba-17
0.205
AHN-SAT-de2502ba-18
0.205
AAR-UNI-c25c2f1e-13
0.205
LON-WEI-af038623-8
0.205
ALP-POS-a3de0cb1-4
0.204
DAV-IMP-59dd6621-25
0.203
MAK-UNK-c8c8f7e2-27
0.203
DAV-IMP-59dd6621-22
0.203
BEN-DND-031a96cc-4
0.203
JON-UIO-d28d79fe-8
0.203
AHN-SAT-de2502ba-5
0.203
WAR-XCH-b72a1bbc-47
0.202
DAV-IMP-59dd6621-4
0.202