Molecular Properties | |
SMILES: | C=CC(=O)NCCC(=O)N1CCOC(c2ccc(F)c(Cl)c2)C1 |
MW: | 340.1 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 58.64 |
cLogP: | 2.07 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26589713 |
Enamine SCR: | Z1479198622 |
Enamine REAL: | Z1479198622 |
Mcule: | MCULE-3294488720 |
Long aliphatic chain
AAR-POS-d2a4d1df-41
SAD-SAT-2ceae68f-10
0.600
AAR-POS-d2a4d1df-33
0.415
MAR-TRE-6a44bbf2-39
0.415
BEN-VAN-77cef4f8-4
0.393
SAD-SAT-b55127ae-8
0.362
JOK-SYG-8934678c-1
0.356
BEN-VAN-77cef4f8-5
0.353
BEN-VAN-77cef4f8-1
0.345
MAR-TRE-dab8f6ea-28
0.340
IND-SYN-6c8299e8-12
0.337
SAD-SAT-2ceae68f-6
0.320
BEN-VAN-77cef4f8-6
0.311
BEN-VAN-77cef4f8-2
0.308
MAR-TRE-dab8f6ea-49
0.305
BEN-VAN-77cef4f8-12
0.289
SAD-SAT-f0a2747f-10
0.289
AHN-SAT-02ef6d10-8
0.284
BEN-VAN-77cef4f8-11
0.281
MAR-TRE-dab8f6ea-15
0.279
BEN-VAN-77cef4f8-3
0.275
TRY-UNI-9f475305-9
0.275
MAK-UNK-7c9d1431-10
0.275
MAK-UNK-752736de-9
0.274
BEN-VAN-77cef4f8-10
0.270
BOG-INS-16021dc0-1
0.270
BOG-INS-177e97e6-1
0.268
BOG-INS-da52c1c2-1
0.267
NIM-UNI-310206f0-7
0.266
BOG-INS-8ebd826b-1
0.265
BOG-INS-d6bb07dc-1
0.263
DAV-IMP-59dd6621-16
0.255
MAK-UNK-10799360-12
0.252
BEN-VAN-77cef4f8-9
0.248
MAT-POS-e6dd326d-8
0.248
EDJ-MED-d203f206-25
0.244
JUL-TUD-06b2044f-47
0.244
MAK-UNK-10799360-8
0.242
BEN-VAN-77cef4f8-8
0.242
FOC-CAS-e3a94da8-1
0.241
DRA-CSI-47e38074-9
0.240
PET-UNK-49566573-4
0.240
PED-UNI-b79f0f51-1
0.240
JOH-UNI-e19b918c-4
0.239
FOC-CAS-e3a94da8-2
0.239
NIM-UNI-310206f0-1
0.237
SAD-SAT-f25ee457-1
0.237
PET-UNK-f4e47ebd-6
0.237
BEN-DND-d1eb1f41-15
0.236
EDJ-MED-d203f206-24
0.236
MAR-TRE-f5c2d31c-13
0.235
SAD-SAT-b55127ae-1
0.234
JUL-TUD-06b2044f-95
0.233
SAD-SAT-2ceae68f-9
0.232
BEN-VAN-77cef4f8-7
0.231
PED-UNI-b79f0f51-2
0.230
SAD-SAT-2ceae68f-3
0.230
EDG-MED-21720aac-4
0.230
STU-CHA-6cae54d3-1
0.229
KAT-UNK-b2a0d5b1-1
0.229
DAN-LON-a5fc619e-6
0.229
NIM-UNI-43fe0159-1
0.228
DAV-IMP-59dd6621-28
0.228
MAK-UNK-10799360-19
0.228
BEN-DND-03406596-6
0.228
MAR-TRE-6a44bbf2-62
0.228
BEN-DND-76ad4ac9-10
0.228
JUL-TUD-06b2044f-138
0.228
EDG-MED-ba1ac7b9-7
0.227
SAD-SAT-1f400d17-6
0.227
EDJ-MED-d203f206-27
0.227
MAK-UNK-6ca90168-13
0.226
SAD-SAT-f0a2747f-1
0.225
PET-UNK-49566573-2
0.225
SAD-SAT-1f400d17-7
0.225
NIM-UNI-43fe0159-8
0.224
JUL-TUD-06b2044f-66
0.224
STU-CHA-128b80be-2
0.223
KAD-UNI-80f122c8-4
0.223
ALP-UNI-8e43a71e-6
0.223
ALP-UNI-76695c4f-7
0.223
ALP-UNI-3496895b-6
0.223
KAD-UNI-8a629cb0-15
0.223
EDG-MED-ba1ac7b9-14
0.223
EDG-MED-ba1ac7b9-25
0.223
EDJ-MED-d203f206-26
0.222
ANT-OPE-3756b28b-1
0.222
EDJ-MED-d203f206-43
0.222
MED-COV-4280ac29-32
0.222
DAR-DIA-ecdbc7dd-4
0.221
ABB-MCD-f8003a30-1
0.221
AHN-SAT-de2502ba-15
0.221
MAR-TRE-6a44bbf2-32
0.221
SAD-SAT-b55127ae-6
0.220
CHO-MSK-5891c1ff-4
0.220
AAR-POS-d2a4d1df-44
0.220
DRR-IMP-dff87f5e-3
0.220
KAD-UNI-877d7bed-10
0.220
MAR-TRE-ebcc4ad6-29
0.220
ANT-OPE-b90194ad-1
0.220
LON-WEI-120e5cf5-8
0.219