Molecular Properties | |
SMILES: | N#Cc1ccccc1NC(=O)Cc1cccnc1 |
MW: | 237.262 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 65.78 |
cLogP: | 2.13448 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1172500933 |
Enamine Extended REAL: | s_11____51736____7459854 |
Mcule Ultimate: | LVRULDIVMIRLIV-UHFFFAOYSA-N |
MolPort: | MolPort-037-587-235 |
BEN-DND-61647d40-8
0.547
ANT-DIA-3c79be55-1
0.529
BEN-DND-61647d40-7
0.522
DAR-DIA-23aa0b97-4
0.478
DAR-DIA-23aa0b97-6
0.478
BEN-DND-61647d40-18
0.463
BEN-DND-61647d40-17
0.456
MAK-UNK-6ca90168-23
0.437
ALP-POS-95b75b4d-9
0.431
SAD-SAT-24589cd1-5
0.431
NAU-LAT-64f4b287-9
0.429
MAK-UNK-6ca90168-29
0.413
GAB-REV-70cc3ca5-13
0.403
DAR-DIA-23aa0b97-17
0.389
MAR-TRE-0fda4e82-32
0.379
ANN-UNI-26382800-5
0.370
SAN-PRS-52b81272-2
0.369
MAR-TRE-9d18ae8c-35
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SAD-SAT-24589cd1-8
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TRY-UNI-2eddb1ff-1
0.355
MAR-TRE-4f781e27-34
0.354
RAL-MED-2de63afb-1
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MAK-UNK-6ca90168-28
0.354
DAR-DIA-842b4336-15
0.351
TRY-UNI-714a760b-20
0.351
SAD-SAT-24589cd1-1
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TRY-UNI-714a760b-5
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AGN-NEW-c7b24fe3-4
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RAL-THA-2d450e86-40
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SAD-SAT-24589cd1-4
0.343
DAR-DIA-23aa0b97-16
0.343
DAR-DIA-842b4336-14
0.342
AGN-NEW-c7b24fe3-3
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PET-UNK-6314f867-3
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BAR-COM-4e090d3a-14
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STE-UNK-dfade101-1
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MAR-TRE-1c920f6f-3
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ANT-OPE-6e66bf84-1
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MAK-UNK-10dfa458-31
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MAR-TRE-67513f76-81
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MAK-UNK-a7b37c5e-3
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SAD-SAT-24589cd1-3
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ANT-OPE-6e66bf84-2
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MAR-TRE-2fd8122f-46
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MAK-UNK-10dfa458-24
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MAR-TRE-1c920f6f-74
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EDG-MED-0da5ad92-2
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MAK-UNK-a7b37c5e-4
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ANT-DIA-3c79be55-3
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RAL-THA-2d450e86-12
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RAL-THA-2d450e86-5
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MAK-UNK-a7b37c5e-5
0.314
VLA-UNK-9a7dc93f-2
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ASH-SAT-43770c7d-9
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ALP-POS-95b75b4d-8
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SAM-UNK-2684b532-13
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DAR-DIA-842b4336-10
0.310
MAR-TRE-2fd8122f-21
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TRY-UNI-714a760b-19
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MAK-UNK-c749d764-14
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MAK-UNK-748f8b7a-6
0.308
SAD-SAT-24589cd1-6
0.308
JIA-UNI-12b1f9ae-2
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VLA-UNK-b9c208fe-1
0.307
WIL-UNI-5578df48-8
0.307
TRY-UNI-2eddb1ff-2
0.307
ALP-POS-95b75b4d-6
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EDG-MED-0da5ad92-8
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DAR-DIA-0cde14eb-14
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MAK-UNK-c749d764-17
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MAK-UNK-a7b37c5e-1
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JIN-POS-6dc588a4-24
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MAR-TRE-2fd8122f-68
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BEN-DND-031a96cc-8
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SAD-SAT-24589cd1-10
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MIC-SGC-657978c3-2
0.304
ANN-UNI-98d2bf15-2
0.304
MAK-UNK-30aad1f1-1
0.303
MAR-TRE-d0525fbf-91
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ALP-POS-95b75b4d-2
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MAR-TRE-4f781e27-29
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JAN-GHE-83b26c96-13
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TRY-UNI-714a760b-6
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EDJ-MED-e58735b6-2
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PET-UNK-dd44aeb6-3
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RAL-THA-2d450e86-28
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JOH-IMS-62aeb97d-5
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MAK-UNK-ca11b4f7-1
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DAR-DIA-842b4336-5
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TRY-UNI-714a760b-2
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DAR-DIA-842b4336-11
0.301
ALP-POS-95b75b4d-7
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MIC-SGC-657978c3-1
0.300
THO-SYG-cc9e9a11-8
0.300
ALP-POS-95b75b4d-1
0.299
CHR-SOS-59746812-2
0.299
JAN-GHE-83b26c96-12
0.299
MAR-TRE-0fda4e82-89
0.298
MAK-UNK-30aad1f1-14
0.298
MAK-UNK-a7b37c5e-2
0.297