Molecular Properties | |
SMILES: | COCCNc1oc(-c2cccc(Cl)c2)nc1C#N |
MW: | 277.06 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.08 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6514392949 |
MolPort: | MolPort-000-321-384 |
Aliphatic long chain
MAR-TRE-1c920f6f-87
0.716
MAR-TRE-a3327163-100
0.594
MAR-TRE-0fda4e82-86
0.581
MAR-TRE-a3327163-97
0.554
MAR-TRE-a3327163-87
0.548
MAR-TRE-1c920f6f-84
0.507
MAR-TRE-a3327163-58
0.500
MAR-TRE-a3327163-95
0.474
MAR-TRE-a3327163-93
0.468
MAR-TRE-a3327163-84
0.438
MAR-TRE-0fda4e82-44
0.407
MAR-TRE-0fda4e82-87
0.402
MAR-TRE-a3327163-74
0.398
MAR-TRE-0fda4e82-98
0.388
MAR-TRE-6c5ef77a-36
0.376
MAR-TRE-a3327163-26
0.376
MAR-TRE-6c5ef77a-80
0.322
MAR-TRE-a3327163-83
0.315
JAN-GHE-83b26c96-24
0.310
MAR-TRE-6c5ef77a-53
0.296
AGN-NEW-c7b24fe3-4
0.291
MAR-TRE-a3327163-98
0.281
JOH-UNI-3fc3434e-8
0.266
JOH-UNI-ee5ed7c8-8
0.266
MAR-TRE-1c920f6f-88
0.263
MAR-TRE-a3327163-70
0.262
MAR-TRE-6c5ef77a-70
0.259
MAK-UNK-6ca90168-23
0.258
JIN-POS-6dc588a4-24
0.258
LON-WEI-1908424e-13
0.250
JOH-UNI-ee5ed7c8-9
0.250
JOH-UNI-3fc3434e-9
0.250
EDJ-MED-c8e7a002-1
0.247
WIL-UNI-2e73223c-4
0.245
MAR-TRE-14ce9fd6-51
0.244
MAR-TRE-6c5ef77a-75
0.242
PET-UNK-b38839dc-2
0.242
NAU-LAT-b0463c38-2
0.239
EDG-MED-0da5ad92-15
0.239
AAR-RCN-521d1733-1
0.239
AAR-RCN-78cf61f7-1
0.239
DAR-DIA-5d6f1b43-11
0.238
PET-UNK-6314f867-3
0.237
ABI-SAT-4d06482b-2
0.236
PET-UNK-f92d7c0c-4
0.235
PET-UNK-f92d7c0c-5
0.235
ADA-UCB-6c2cb422-5
0.235
EDJ-MED-00c1612e-1
0.235
WAR-XCH-72a8c209-1
0.235
PET-UNK-8df914d1-1
0.235
JAN-GHE-5a013bed-5
0.235
DAV-CRI-25b90884-3
0.234
MAR-TRE-3159af1a-25
0.234
JOH-UNI-abfda500-4
0.233
AGN-NEW-c7b24fe3-5
0.233
EDG-MED-0da5ad92-17
0.233
MAT-POS-c20a539d-5
0.232
PET-UNK-6314f867-2
0.232
NAU-LAT-b0463c38-3
0.231
UNK-CYC-68f84b31-59
0.231
JAN-GHE-83b26c96-25
0.231
AAR-RCN-dbf5c5ee-1
0.231
EDJ-MED-c8e7a002-5
0.230
MAT-POS-90fd5f68-41
0.230
PET-UNK-f4e47ebd-2
0.230
PET-UNK-f4e47ebd-1
0.230
AAR-RCN-28a8122f-1
0.230
EDG-MED-0da5ad92-13
0.230
EDJ-MED-c8e7a002-2
0.229
DAR-DIA-bd041b9b-29
0.229
JIN-POS-6dc588a4-3
0.228
RUB-POS-1325a9ea-19
0.228
MAT-POS-29385cc1-2
0.228
EDJ-MED-97c1bf5c-1
0.228
MAT-POS-90fd5f68-39
0.228
JOK-SYG-a0b0bf84-1
0.227
UNK-CYC-68f84b31-90
0.227
EDJ-MED-49816e9b-3
0.227
RIT-UNK-fa3975ff-1
0.227
EDJ-MED-b24713dc-4
0.227
RUB-POS-1325a9ea-9
0.227
MIC-UNK-50cce87d-4
0.227
COM-UCB-8c7d23dc-3
0.226
DAR-DIA-bd041b9b-28
0.226
JIN-POS-6dc588a4-8
0.226
MED-COV-4280ac29-3
0.225
DAV-CRI-3edb475e-4
0.225
AAR-POS-0daf6b7e-10
0.225
AAR-RCN-845f9611-1
0.225
PET-UNK-8df914d1-3
0.225
EDJ-MED-c8e7a002-3
0.224
MAT-POS-c20a539d-2
0.224
DAV-CRI-3edb475e-5
0.224
NAU-LAT-e1818702-10
0.224
JAN-GHE-5a013bed-7
0.224
DAR-DIA-6a49afbe-1
0.223
UNK-CYC-68f84b31-36
0.223
MAT-POS-1e5f28a7-1
0.221
JIN-POS-6dc588a4-6
0.221
PET-UNK-b1ef24dc-1
0.221