Molecular Properties | |
SMILES: | COc1ccc(C2CC(c3cncn3C)=NN2C(=O)CCl)cc1OC |
MW: | 362.11 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 68.95 |
cLogP: | 2.35 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
JOH-MR_-42fa5481-12
0.642
JOH-MR_-42fa5481-10
0.642
JOH-MR_-42fa5481-11
0.642
MED-COV-4280ac29-30
0.613
JOH-MR_-42fa5481-9
0.610
MAT-POS-916a2c5a-1
0.598
JOH-MR_-42fa5481-3
0.590
MAR-LAB-efb042c5-3
0.517
TAT-ENA-80bfd3e5-9
0.479
NIM-UNI-13494739-4
0.479
NIM-UNI-13494739-3
0.457
JOH-MR_-42fa5481-5
0.440
JOH-MR_-42fa5481-7
0.409
MAR-LAB-ff9967db-37
0.400
JOH-MR_-42fa5481-14
0.398
JON-UNI-93996c9d-12
0.398
JOH-MR_-42fa5481-4
0.392
NIM-UNI-13494739-8
0.378
MAR-LAB-ff9967db-36
0.377
NIM-UNI-13494739-5
0.376
NIM-UNI-13494739-1
0.365
JOH-MR_-42fa5481-6
0.362
JOH-MR_-42fa5481-2
0.362
NIM-UNI-13494739-7
0.361
TAT-ENA-80bfd3e5-17
0.361
MAR-LAB-efb042c5-1
0.360
JON-UNI-93996c9d-6
0.356
JOH-MR_-42fa5481-1
0.351
JON-UNI-93996c9d-4
0.347
JON-UNI-93996c9d-7
0.340
MAR-LAB-efb042c5-4
0.326
NIM-UNI-13494739-11
0.320
UNK-UNK-2ede4078-58
0.317
MAT-POS-fa06b69f-7
0.314
TAT-ENA-80bfd3e5-45
0.314
TAT-ENA-80bfd3e5-5
0.306
TAT-ENA-80bfd3e5-15
0.301
MAK-UNK-7c9d1431-19
0.297
NIM-UNI-13494739-2
0.295
NIM-UNI-13494739-6
0.295
UNK-UNK-2ede4078-77
0.295
NIM-UNI-13494739-9
0.289
UNK-UNK-2ede4078-67
0.286
NIM-UNI-13494739-10
0.281
MAR-TRE-e86a56b5-1
0.281
NIM-UNI-13494739-12
0.281
MAR-TRE-6a44bbf2-99
0.276
MAR-TRE-6a44bbf2-82
0.274
MAK-UNK-ec98eaf6-57
0.264
MAR-TRE-2fd8122f-74
0.259
SAD-SAT-5b1897b2-5
0.258
SAD-SAT-29425be4-3
0.257
MAT-POS-b5746674-93
0.254
ANT-STE-dbb91f63-3
0.252
THO-SYG-f9b2970d-7
0.252
JON-UNI-93996c9d-11
0.250
LON-WEI-120e5cf5-3
0.250
MAR-TRE-fd17a9b8-92
0.250
ANT-STE-dbb91f63-2
0.248
ANT-STE-dbb91f63-1
0.248
DRR-IMP-38dce17f-8
0.245
LON-WEI-120e5cf5-17
0.242
AAR-POS-5507155c-2
0.242
LON-WEI-120e5cf5-1
0.242
AAR-POS-f650c5f2-4
0.242
MAR-TRE-aca67d11-4
0.242
THO-SYG-f9b2970d-4
0.240
JOH-MR_-42fa5481-8
0.240
NAU-LAT-64f4b287-4
0.238
MAK-UNK-90d0606b-2
0.238
MAR-TRE-ebcc4ad6-9
0.238
MAR-TRE-fffca54f-31
0.238
MAK-UNK-3f402c2b-27
0.237
THO-SYG-f9b2970d-3
0.236
SAD-SAT-29425be4-6
0.235
MAR-TRE-4b834d9a-58
0.235
MAR-TRE-6a44bbf2-45
0.235
MAK-UNK-7c9d1431-30
0.235
UNK-UNK-2ede4078-84
0.234
MAK-UNK-a7992eb3-3
0.233
THO-SYG-f9b2970d-8
0.232
TAT-ENA-80bfd3e5-16
0.232
SAD-SAT-65574d3f-10
0.232
MAR-TRE-a9136c7b-49
0.230
MAR-TRE-36bf7dba-44
0.230
FOC-CAS-e3a94da8-2
0.229
MAR-TRE-8a25d817-9
0.229
MAK-UNK-c97f7c8f-1
0.229
MAK-UNK-90d0606b-10
0.229
MAK-UNK-bae89c02-1
0.229
MAK-UNK-8fdbca50-13
0.228
MAT-POS-b5746674-96
0.227
SAD-SAT-29425be4-17
0.227
MAK-UNK-702fb7d3-5
0.227
MAT-POS-b5746674-79
0.227
LON-WEI-120e5cf5-11
0.227
MAR-TRE-e86a56b5-12
0.226
MAK-UNK-7c9d1431-17
0.226
MAR-TRE-4b834d9a-98
0.225
MAK-UNK-8fdbca50-36
0.225