Molecular Properties | |
SMILES: | COc1ccc(C2CC(c3cnco3)=NN2C(=O)CCl)cc1OC |
MW: | 349.08 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 77.16 |
cLogP: | 2.61 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
JOH-MR_-42fa5481-9
0.701
JOH-MR_-42fa5481-13
0.642
JOH-MR_-42fa5481-10
0.630
JOH-MR_-42fa5481-12
0.630
MED-COV-4280ac29-30
0.620
MAT-POS-916a2c5a-1
0.605
JOH-MR_-42fa5481-3
0.598
MAR-LAB-efb042c5-3
0.541
TAT-ENA-80bfd3e5-9
0.484
NIM-UNI-13494739-4
0.484
NIM-UNI-13494739-3
0.478
JOH-MR_-42fa5481-5
0.429
NIM-UNI-13494739-5
0.427
JOH-MR_-42fa5481-7
0.413
MAR-LAB-ff9967db-37
0.404
JOH-MR_-42fa5481-4
0.396
JOH-MR_-42fa5481-14
0.387
JON-UNI-93996c9d-12
0.387
NIM-UNI-13494739-1
0.382
NIM-UNI-13494739-8
0.382
JOH-MR_-42fa5481-2
0.366
JOH-MR_-42fa5481-6
0.365
NIM-UNI-13494739-7
0.365
TAT-ENA-80bfd3e5-17
0.365
JON-UNI-93996c9d-6
0.360
MAR-LAB-ff9967db-36
0.357
JOH-MR_-42fa5481-1
0.354
JON-UNI-93996c9d-4
0.350
MAR-LAB-efb042c5-1
0.348
JON-UNI-93996c9d-7
0.343
NIM-UNI-13494739-6
0.341
NIM-UNI-13494739-11
0.337
TAT-ENA-80bfd3e5-15
0.330
MAR-LAB-efb042c5-4
0.330
NIM-UNI-13494739-2
0.312
UNK-UNK-2ede4078-77
0.312
TAT-ENA-80bfd3e5-5
0.309
UNK-UNK-2ede4078-58
0.308
MAT-POS-fa06b69f-7
0.304
TAT-ENA-80bfd3e5-45
0.304
MAK-UNK-7c9d1431-19
0.300
NIM-UNI-13494739-12
0.298
NIM-UNI-13494739-10
0.298
NIM-UNI-13494739-9
0.292
UNK-UNK-2ede4078-67
0.276
MAR-TRE-e86a56b5-1
0.271
MAR-TRE-6a44bbf2-99
0.265
MAR-TRE-6a44bbf2-82
0.263
MAR-TRE-2fd8122f-74
0.261
SAD-SAT-5b1897b2-5
0.261
MAR-TRE-aca67d11-4
0.258
MAK-UNK-bae89c02-1
0.255
THO-SYG-f9b2970d-4
0.255
JON-UNI-93996c9d-11
0.253
MAR-TRE-ebcc4ad6-9
0.253
MAR-TRE-fffca54f-31
0.253
NIM-UNI-43fe0159-9
0.250
SAD-SAT-29425be4-3
0.248
MAT-POS-b5746674-93
0.246
THO-SYG-f9b2970d-8
0.245
MAR-TRE-6a44bbf2-14
0.245
MAR-TRE-8a25d817-9
0.245
JOH-MR_-42fa5481-8
0.243
ANT-STE-dbb91f63-3
0.243
MAT-POS-b5746674-88
0.242
NAU-LAT-64f4b287-4
0.240
LON-WEI-120e5cf5-3
0.240
MAT-POS-b5746674-79
0.239
ANT-STE-dbb91f63-1
0.238
MAR-TRE-6a44bbf2-45
0.237
MAK-UNK-7c9d1431-30
0.237
MAR-TRE-4b834d9a-58
0.237
UNK-UNK-2ede4078-84
0.236
DRR-IMP-38dce17f-8
0.235
TAT-ENA-80bfd3e5-16
0.234
SAD-SAT-65574d3f-10
0.234
DAR-DIA-43a5904b-9
0.233
MAR-TRE-a9136c7b-49
0.232
LON-WEI-120e5cf5-1
0.232
LON-WEI-120e5cf5-17
0.232
AAR-POS-5507155c-2
0.232
MAR-TRE-74c6519b-46
0.232
MAR-TRE-36bf7dba-44
0.232
AAR-POS-f650c5f2-4
0.232
THO-SYG-f9b2970d-7
0.232
NIM-UNI-43fe0159-11
0.232
MAK-UNK-a7992eb3-6
0.231
MAK-UNK-7c9d1431-17
0.228
MAK-UNK-90d0606b-2
0.228
MAR-TRE-4b834d9a-98
0.227
MIC-UNK-df342a3f-1
0.227
NIM-UNI-43fe0159-10
0.227
ANT-STE-dbb91f63-2
0.226
THO-SYG-f9b2970d-3
0.226
MAR-TRE-3159af1a-88
0.226
MAR-TRE-6a44bbf2-39
0.226
AAR-POS-d2a4d1df-33
0.226
MAK-UNK-3e0761f8-2
0.225
MAR-TRE-74c6519b-82
0.225
MAK-UNK-a7992eb3-3
0.225