Molecular Properties | |
SMILES: | O=C(CCl)N1N=C(c2cccs2)CC1c1ccco1 |
MW: | 294.02 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 45.81 |
cLogP: | 3.26 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-11175 |
Enamine SCR: | Z57036335 |
Mcule: | MCULE-4922920785 |
MolPort: | MolPort-002-022-775 |
AAR-POS-d2a4d1df-1
NIM-UNI-13494739-9
0.615
NIM-UNI-13494739-12
0.600
NIM-UNI-13494739-2
0.600
UNK-UNK-2ede4078-77
0.600
NIM-UNI-13494739-11
0.560
TAT-ENA-80bfd3e5-15
0.537
MAR-LAB-efb042c5-4
0.533
MAT-POS-916a2c5a-1
0.500
NIM-UNI-13494739-6
0.493
TAT-ENA-80bfd3e5-9
0.455
NIM-UNI-13494739-4
0.455
NIM-UNI-13494739-3
0.398
NIM-UNI-13494739-5
0.393
UNK-UNK-2ede4078-67
0.386
MAR-LAB-ff9967db-36
0.377
NIM-UNI-13494739-1
0.365
JOH-MR_-42fa5481-5
0.364
JOH-MR_-42fa5481-9
0.360
MAR-LAB-efb042c5-1
0.341
JOH-MR_-42fa5481-10
0.341
TAT-ENA-80bfd3e5-18
0.337
JOH-MR_-42fa5481-7
0.333
MAR-LAB-ff9967db-37
0.333
NIM-UNI-13494739-8
0.329
MAT-POS-fa06b69f-7
0.323
TAT-ENA-80bfd3e5-45
0.323
JOH-MR_-42fa5481-4
0.319
JOH-MR_-42fa5481-3
0.315
TAT-ENA-80bfd3e5-5
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MED-COV-4280ac29-30
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JOH-MR_-42fa5481-6
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JOH-MR_-42fa5481-2
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JOH-MR_-42fa5481-11
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JAR-KUA-8c13982c-11
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JOH-MR_-42fa5481-1
0.290
TAT-ENA-80bfd3e5-17
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MAR-LAB-efb042c5-3
0.287
NIM-UNI-13494739-7
0.287
JOH-MR_-42fa5481-13
0.281
NAU-LAT-64f4b287-3
0.281
MAR-TRE-6a44bbf2-61
0.280
AAR-POS-d2a4d1df-29
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JOH-MR_-42fa5481-14
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MAK-UNK-3f402c2b-26
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MAK-UNK-5d2caa6f-7
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MAK-UNK-3f402c2b-7
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JOH-MR_-42fa5481-12
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MAK-UNK-987948f6-9
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LON-WEI-8f408cad-5
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AAR-POS-0daf6b7e-17
0.269
MAK-UNK-7c9d1431-28
0.269
UNK-UNK-2ede4078-68
0.261
AAR-POS-0daf6b7e-16
0.260
MAR-TRE-f5c2d31c-31
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MAK-UNK-987948f6-15
0.256
MAK-UNK-3f402c2b-25
0.256
LON-WEI-8f408cad-3
0.250
MAR-TRE-f5c2d31c-1
0.250
MAR-TRE-6a44bbf2-52
0.250
AAR-POS-d2a4d1df-22
0.250
BEN-DND-76ad4ac9-1
0.247
MAR-TRE-6a44bbf2-86
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LON-WEI-120e5cf5-15
0.244
MAT-POS-b5746674-89
0.243
JOH-MR_-42fa5481-8
0.242
NIM-UNI-05f93fcc-13
0.242
MAK-UNK-987948f6-8
0.242
MAK-UNK-3f402c2b-1
0.241
MAK-UNK-3e0761f8-8
0.241
LON-WEI-120e5cf5-5
0.241
GIA-UNK-20b63697-2
0.236
MAT-POS-b5746674-92
0.236
NAU-LAT-64f4b287-5
0.233
AAR-POS-0daf6b7e-5
0.232
DAN-LON-a5fc619e-9
0.232
SAD-SAT-29425be4-23
0.232
DAV-CRI-0207e898-1
0.230
RAF-UNK-9885c2f5-1
0.229
LON-WEI-120e5cf5-11
0.227
JOH-UNI-27ac80fd-29
0.227
BEN-DND-76ad4ac9-13
0.227
BEN-DND-03406596-5
0.227
MAR-TRE-87acfbcc-28
0.226
NIM-UNI-43fe0159-2
0.226
LON-WEI-120e5cf5-20
0.226
NIM-UNI-43fe0159-6
0.226
MED-COV-4280ac29-8
0.226
ASH-UNK-e28bb067-8
0.225
AHN-SAT-de2502ba-7
0.225
NIM-UNI-43fe0159-10
0.225
MAK-UNK-af83ef51-2
0.224
GIA-UNK-20b63697-9
0.223
MAK-UNK-69bf97dd-10
0.223
UNK-UNK-2ede4078-58
0.223
YOI-UNK-a533afbc-4
0.222
YOI-UNK-12211982-4
0.222
GIA-UNK-20b63697-3
0.222
GIA-UNK-20b63697-5
0.222
MAR-TRE-6a44bbf2-15
0.221
AAR-POS-0daf6b7e-6
0.221