Molecular Properties | |
SMILES: | Cc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCl)cc1 |
MW: | 312.1 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 32.67 |
cLogP: | 3.91 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
NIM-UNI-13494739-8
0.734
MED-COV-4280ac29-30
0.611
TAT-ENA-80bfd3e5-5
0.533
NIM-UNI-13494739-2
0.528
UNK-UNK-2ede4078-77
0.528
NIM-UNI-13494739-7
0.506
TAT-ENA-80bfd3e5-17
0.506
MAT-POS-fa06b69f-7
0.494
TAT-ENA-80bfd3e5-45
0.494
MAR-LAB-efb042c5-4
0.468
MAR-LAB-efb042c5-3
0.434
NIM-UNI-13494739-12
0.429
NIM-UNI-13494739-11
0.420
JOH-MR_-42fa5481-3
0.400
MAT-POS-916a2c5a-1
0.388
UNK-UNK-2ede4078-67
0.378
NIM-UNI-13494739-9
0.373
NIM-UNI-13494739-5
0.369
JOH-MR_-42fa5481-9
0.368
JOH-MR_-42fa5481-10
0.364
JOH-MR_-42fa5481-13
0.360
TAT-ENA-80bfd3e5-9
0.355
NIM-UNI-13494739-4
0.355
JOH-MR_-42fa5481-11
0.348
JOH-MR_-42fa5481-12
0.348
NIM-UNI-13494739-6
0.341
NIM-UNI-13494739-10
0.341
GIA-UNK-7337c2f3-7
0.333
MAK-UNK-c97f7c8f-1
0.329
MAT-POS-b5746674-92
0.316
TAT-ENA-80bfd3e5-15
0.315
LON-WEI-120e5cf5-5
0.312
MAK-UNK-af83ef51-2
0.308
AHN-SAT-de2502ba-8
0.306
AAR-POS-d2a4d1df-25
0.306
MAK-UNK-10dfa458-39
0.300
MAK-UNK-3f402c2b-5
0.300
DUN-NEW-f8ce3686-22
0.300
MAR-LAB-ff9967db-36
0.297
GIA-UNK-7337c2f3-10
0.296
MAR-TRE-6a44bbf2-12
0.295
MED-COV-dea4df70-1
0.294
MAK-UNK-af83ef51-1
0.293
DAN-MCD-1c3944e2-1
0.292
MAK-UNK-7c9d1431-21
0.291
SAD-SAT-29425be4-16
0.290
MAR-TRE-6a44bbf2-68
0.289
MAR-LAB-efb042c5-5
0.289
AAR-POS-d2a4d1df-27
0.289
WAR-XCH-79d12f6e-4
0.287
DAN-MCD-34fd4f29-1
0.286
NIM-UNI-ed9fc491-3
0.284
NIM-UNI-05f93fcc-2
0.282
NAU-LAT-64f4b287-5
0.282
LON-WEI-120e5cf5-15
0.282
MAK-UNK-3f402c2b-4
0.282
MAR-TRE-6a44bbf2-86
0.282
SAD-SAT-29425be4-4
0.278
UNK-UNK-2ede4078-58
0.278
DRR-IMP-38dce17f-3
0.278
MAK-UNK-7c9d1431-24
0.278
MAK-UNK-987948f6-2
0.278
MAK-UNK-3e0761f8-8
0.277
MAK-UNK-6ca90168-11
0.276
MAK-UNK-df1a028e-9
0.275
MAK-UNK-ec98eaf6-42
0.275
GIA-UNK-7337c2f3-8
0.274
NIM-UNI-13494739-3
0.274
SAD-SAT-29425be4-20
0.273
NAU-LAT-64f4b287-4
0.273
PAU-WEI-b9b69149-3
0.272
MED-COV-4280ac29-23
0.271
NIM-UNI-05f93fcc-11
0.271
MAK-UNK-3f402c2b-23
0.271
GIA-UNK-20b63697-3
0.271
GIA-UNK-20b63697-5
0.271
SIM-SYN-f15aaa3a-1
0.270
MAR-TRE-6a44bbf2-92
0.269
AAR-POS-0daf6b7e-5
0.269
AAR-POS-d2a4d1df-24
0.269
GIA-UNK-c4371e97-2
0.269
SAD-SAT-9a6c5cf3-2
0.269
TAT-ENA-80bfd3e5-30
0.268
NIR-THE-0d6461ce-1
0.268
MAK-UNK-df1a028e-4
0.267
NIM-UNI-ed9fc491-4
0.267
STE-KUL-2e0d2e88-4
0.267
MAK-UNK-15efde89-1
0.266
KRI-MAR-d2e3ef86-25
0.265
GIA-UNK-20b63697-6
0.265
MAR-TRE-6a44bbf2-9
0.265
SEL-UNI-cd366922-1
0.264
GIA-UNK-7337c2f3-11
0.264
SAD-SAT-29425be4-23
0.264
MAK-UNK-ec98eaf6-9
0.264
SAL-INS-1c7a5a55-11
0.264
GIA-UNK-7337c2f3-14
0.264
AHN-SAT-de2502ba-7
0.263
MAR-TRE-6a44bbf2-21
0.263
MAK-UNK-6ca90168-10
0.263