Molecular Properties | |
SMILES: | COc1ccc(C2CC(c3cncs3)=NN2C(=O)CCl)cc1OC |
MW: | 365.06 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 64.02 |
cLogP: | 3.08 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
MAT-POS-916a2c5a-1
0.733
JOH-MR_-42fa5481-12
0.650
JOH-MR_-42fa5481-13
0.642
JOH-MR_-42fa5481-11
0.630
MED-COV-4280ac29-30
0.620
JOH-MR_-42fa5481-3
0.617
JOH-MR_-42fa5481-9
0.598
NIM-UNI-13494739-4
0.586
TAT-ENA-80bfd3e5-9
0.586
NIM-UNI-13494739-3
0.565
MAR-LAB-efb042c5-3
0.541
JOH-MR_-42fa5481-5
0.512
JOH-MR_-42fa5481-7
0.494
MAR-LAB-ff9967db-37
0.490
JOH-MR_-42fa5481-4
0.473
NIM-UNI-13494739-1
0.454
JOH-MR_-42fa5481-14
0.449
MAR-LAB-efb042c5-4
0.437
JOH-MR_-42fa5481-6
0.434
MAR-LAB-ff9967db-36
0.431
JOH-MR_-42fa5481-2
0.427
JOH-MR_-42fa5481-1
0.413
JON-UNI-93996c9d-12
0.387
NIM-UNI-13494739-9
0.386
NIM-UNI-13494739-8
0.382
NIM-UNI-13494739-7
0.379
TAT-ENA-80bfd3e5-17
0.379
JON-UNI-93996c9d-6
0.374
JON-UNI-93996c9d-7
0.370
MAR-LAB-efb042c5-1
0.364
JON-UNI-93996c9d-4
0.364
NIM-UNI-13494739-5
0.351
NIM-UNI-13494739-10
0.341
NIM-UNI-13494739-6
0.326
TAT-ENA-80bfd3e5-5
0.323
NIM-UNI-13494739-11
0.323
UNK-UNK-2ede4078-58
0.320
UNK-UNK-2ede4078-67
0.316
MAT-POS-fa06b69f-7
0.304
TAT-ENA-80bfd3e5-45
0.304
NIM-UNI-13494739-2
0.298
UNK-UNK-2ede4078-77
0.298
JOH-MR_-42fa5481-8
0.293
TAT-ENA-80bfd3e5-15
0.291
MAK-UNK-7c9d1431-19
0.286
NIM-UNI-13494739-12
0.284
MAR-TRE-e86a56b5-1
0.284
MAR-TRE-6a44bbf2-99
0.265
MAR-TRE-6a44bbf2-82
0.263
SAD-SAT-5b1897b2-5
0.261
MAR-TRE-aca67d11-4
0.258
ANT-STE-dbb91f63-3
0.255
JON-UNI-93996c9d-11
0.253
ANT-STE-dbb91f63-1
0.250
ANT-STE-dbb91f63-2
0.250
MAR-TRE-4b834d9a-58
0.248
MAR-TRE-e86a56b5-7
0.248
UNK-UNK-2ede4078-84
0.248
MAT-POS-b5746674-93
0.246
AAR-POS-5507155c-2
0.245
AAR-POS-f650c5f2-4
0.245
MAR-TRE-74c6519b-46
0.245
MAR-TRE-36bf7dba-44
0.245
LON-WEI-120e5cf5-1
0.245
LON-WEI-120e5cf5-17
0.245
NAU-LAT-64f4b287-4
0.240
LON-WEI-120e5cf5-3
0.240
MAT-POS-b5746674-79
0.239
MAR-TRE-2fd8122f-74
0.239
MAR-TRE-67513f76-49
0.238
MAR-TRE-6a44bbf2-45
0.237
MAK-UNK-7c9d1431-30
0.237
SAD-SAT-29425be4-3
0.235
DRR-IMP-38dce17f-8
0.235
UNK-UNK-2ede4078-68
0.235
DAV-CRI-3fe943ba-2
0.234
SAD-SAT-65574d3f-10
0.234
MAR-TRE-8a25d817-9
0.232
MAK-UNK-ec98eaf6-57
0.231
MAK-UNK-90d0606b-10
0.231
THO-SYG-f9b2970d-4
0.231
MAK-UNK-bae89c02-1
0.231
NIM-UNI-310206f0-1
0.229
MAK-UNK-90d0606b-2
0.228
MAR-TRE-4b834d9a-98
0.227
AAR-POS-0daf6b7e-18
0.227
VIK-SYN-9a3d118a-8
0.227
MAT-POS-b5746674-92
0.226
DAV-CRI-3fe943ba-1
0.225
BEN-DND-6de5dfa0-21
0.224
TAT-ENA-80bfd3e5-16
0.223
THO-SYG-f9b2970d-8
0.223
NIM-UNI-310206f0-15
0.223
MAR-TRE-e86a56b5-91
0.222
JIN-POS-6dc588a4-3
0.222
HYO-UNK-1dbfcf16-1
0.222
MAR-TRE-4b834d9a-68
0.222
MAR-TRE-0fda4e82-82
0.222
MAT-POS-b5746674-88
0.221
THO-SYG-f9b2970d-7
0.221