Molecular Properties | |
SMILES: | COc1cc(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCl)ccc1O |
MW: | 404.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 80.59 |
cLogP: | 3.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MED-COV-4280ac29-30
0.628
JOH-MR_-42fa5481-3
0.605
MAT-POS-916a2c5a-1
0.554
JOH-MR_-42fa5481-10
0.541
JOH-MR_-42fa5481-11
0.541
JOH-MR_-42fa5481-9
0.529
JOH-MR_-42fa5481-12
0.523
JOH-MR_-42fa5481-13
0.517
TAT-ENA-80bfd3e5-9
0.473
NIM-UNI-13494739-4
0.473
NIM-UNI-13494739-7
0.461
TAT-ENA-80bfd3e5-17
0.461
NIM-UNI-13494739-8
0.452
MAR-LAB-efb042c5-1
0.434
NIM-UNI-13494739-3
0.419
TAT-ENA-80bfd3e5-5
0.400
MAR-LAB-ff9967db-37
0.394
JOH-MR_-42fa5481-5
0.387
JON-UNI-93996c9d-12
0.376
MAT-POS-fa06b69f-7
0.375
TAT-ENA-80bfd3e5-45
0.375
JOH-MR_-42fa5481-7
0.372
MAR-LAB-ff9967db-36
0.372
NIM-UNI-13494739-11
0.370
UNK-UNK-2ede4078-67
0.363
NIM-UNI-13494739-1
0.359
JOH-MR_-42fa5481-4
0.357
NIM-UNI-13494739-5
0.355
MAR-LAB-efb042c5-4
0.348
JOH-MR_-42fa5481-14
0.347
NIM-UNI-13494739-2
0.344
UNK-UNK-2ede4078-77
0.344
JOH-MR_-42fa5481-6
0.330
NIM-UNI-13494739-12
0.330
JOH-MR_-42fa5481-2
0.326
JON-UNI-93996c9d-6
0.324
JOH-MR_-42fa5481-8
0.323
JOH-MR_-42fa5481-1
0.316
JON-UNI-93996c9d-4
0.314
UNK-UNK-2ede4078-58
0.311
NIM-UNI-13494739-9
0.310
MAK-UNK-7c9d1431-19
0.303
NIM-UNI-13494739-6
0.301
JON-UNI-93996c9d-7
0.295
NIM-UNI-13494739-10
0.287
TAT-ENA-80bfd3e5-15
0.282
MAR-TRE-ebcc4ad6-9
0.281
MAR-TRE-fffca54f-31
0.281
MAR-TRE-6a44bbf2-82
0.280
SAD-SAT-5b1897b2-5
0.278
UNK-UNK-2ede4078-84
0.275
MAR-TRE-e86a56b5-1
0.274
ANT-STE-dbb91f63-3
0.270
LON-WEI-120e5cf5-3
0.269
MAR-TRE-6a44bbf2-99
0.268
DRR-IMP-38dce17f-8
0.263
UNK-UNK-2ede4078-68
0.263
SAD-SAT-29425be4-3
0.263
MAR-TRE-aca67d11-4
0.261
GIA-UNK-a79af1bc-1
0.258
JON-UNI-93996c9d-11
0.255
LON-WEI-120e5cf5-7
0.255
MAK-UNK-7c9d1431-30
0.253
MAR-TRE-6a44bbf2-45
0.253
ANT-STE-dbb91f63-1
0.253
DAV-UNK-07f953a2-7
0.252
MAR-TRE-d3c2bf0e-66
0.250
SAD-SAT-65574d3f-10
0.250
NIR-THE-0d6461ce-1
0.250
LON-WEI-120e5cf5-17
0.247
AAR-POS-5507155c-2
0.247
LON-WEI-120e5cf5-1
0.247
AAR-POS-f650c5f2-4
0.247
MAR-TRE-8a25d817-9
0.247
MAK-UNK-c97f7c8f-1
0.247
MAR-TRE-a3327163-99
0.247
MAK-UNK-ec98eaf6-57
0.245
MAK-UNK-987948f6-15
0.244
ALP-POS-182116e9-2
0.243
SAD-SAT-29425be4-22
0.243
MAR-TRE-36bf7dba-52
0.242
ANT-STE-dbb91f63-2
0.240
NEH-REV-107bcf72-4
0.240
MAR-TRE-6a44bbf2-15
0.239
AAR-POS-0daf6b7e-6
0.239
MAT-POS-b5746674-93
0.237
NIR-THE-0d6461ce-9
0.237
NIR-THE-0d6461ce-7
0.235
MAR-TRE-6a44bbf2-14
0.235
MAR-TRE-87acfbcc-81
0.235
MAR-TRE-4f39ef4a-39
0.235
MAK-UNK-750cfbcc-1
0.234
NEH-REV-107bcf72-5
0.233
MAK-UNK-a7992eb3-6
0.233
MAK-UNK-212f693e-10
0.233
MAK-UNK-bae89c02-1
0.233
MAR-TRE-e86a56b5-52
0.233
MAR-TRE-14ce9fd6-32
0.233
HYU-PHA-b2f04c4b-1
0.232
SAD-SAT-29425be4-30
0.231