Molecular Properties | |
SMILES: | N#Cc1ccc(CC(C#N)C(=O)Nc2cccnc2)cc1 |
MW: | 276.1 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 89.57 |
cLogP: | 2.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1939559535 |
too many cyano Groups (>1)
JOH-UNK-14e6adc5-2
0.492
ANN-UNI-26382800-3
0.492
ANN-UNI-26382800-5
0.419
DAR-DIA-23aa0b97-17
0.419
MAR-TRE-67513f76-81
0.417
CHR-SOS-363cfb78-1
0.408
ANN-UNI-26382800-4
0.403
DAR-DIA-23aa0b97-5
0.403
JOR-UNI-61e7b1d5-2
0.403
WAR-XCH-eb7b662f-1
0.403
DAR-DIA-842b4336-9
0.397
JOH-IMS-62aeb97d-2
0.394
MAK-UNK-30aad1f1-7
0.393
DAR-DIA-842b4336-14
0.392
KEI-TRE-d5e2018a-69
0.388
MAK-UNK-ca11b4f7-3
0.387
WAR-XCH-eb7b662f-2
0.387
MAR-TRE-2fd8122f-51
0.386
WAR-XCH-6eb0722e-1
0.384
MAK-UNK-a7b37c5e-2
0.384
JOR-UNI-61e7b1d5-1
0.383
JOH-IMS-62aeb97d-5
0.381
MAK-UNK-ca11b4f7-1
0.381
MAK-UNK-30aad1f1-14
0.373
MAR-TRE-2fd8122f-79
0.373
MAK-UNK-a7b37c5e-4
0.371
MAK-UNK-30aad1f1-12
0.370
MED-UNK-e6e8ef8a-7
0.370
MED-UNK-e6e8ef8a-1
0.370
DAR-DIA-842b4336-5
0.370
BEN-DND-362d364a-12
0.367
DRE-WAB-ae4a693c-1
0.367
ADA-UNI-f8e79267-4
0.367
PET-SGC-b0f8bd49-1
0.367
PET-SGC-d0156db4-1
0.367
KEI-TRE-d5e2018a-81
0.367
WAR-XCH-6eb0722e-3
0.367
MAK-UNK-a7b37c5e-5
0.366
MAK-UNK-ca11b4f7-2
0.365
DAR-DIA-842b4336-15
0.364
WIL-UNI-5578df48-15
0.364
SAN-PRS-52b81272-2
0.362
JOR-UNI-61e7b1d5-7
0.360
MAR-TRE-7f7bb9f0-49
0.360
MAK-UNK-30aad1f1-1
0.360
MAK-UNK-30aad1f1-6
0.360
ADA-UNI-f8e79267-5
0.359
SAD-SAT-689b7d5a-6
0.358
KEI-TRE-d5e2018a-43
0.357
SAD-SAT-24589cd1-4
0.357
MAK-UNK-a7b37c5e-1
0.356
MAK-UNK-c749d764-17
0.356
MAR-TRE-67513f76-93
0.355
DAR-DIA-842b4336-6
0.355
ASH-UNK-40b46b30-13
0.354
TRY-UNI-1fd04853-8
0.354
KEI-TRE-d5e2018a-29
0.354
ADA-UNI-f8e79267-2
0.354
MAK-UNK-30aad1f1-8
0.353
ADA-UNI-f8e79267-10
0.353
ALE-HEI-f28a35b5-5
0.351
MED-UNK-e6e8ef8a-5
0.351
BEN-DND-61647d40-8
0.351
DAR-DIA-23aa0b97-4
0.351
DAR-DIA-23aa0b97-6
0.351
MAR-TRE-2fd8122f-57
0.351
ANT-DIA-3c79be55-4
0.351
MAR-TRE-67513f76-32
0.350
KEI-TRE-d5e2018a-99
0.350
IAN-BAS-df1706d7-1
0.350
KEI-TRE-d5e2018a-17
0.350
MAR-TRE-2fd8122f-68
0.349
KEI-TRE-d5e2018a-55
0.349
ADA-UNI-f8e79267-1
0.349
ALE-HEI-f28a35b5-14
0.348
ALE-HEI-f28a35b5-15
0.348
AUS-ARG-7cfdce8f-11
0.347
MAR-TRE-3e4e6814-93
0.346
WIL-UNI-5578df48-3
0.346
JAN-UNI-2e92c4b1-2
0.346
MAK-UNK-c749d764-23
0.346
KEI-TRE-d5e2018a-42
0.346
STE-LAU-aafa5dff-1
0.345
ADA-UNI-f8e79267-11
0.345
KEI-TRE-d5e2018a-24
0.345
JOR-UNI-61e7b1d5-9
0.345
AAR-POS-d2a4d1df-11
0.343
DAR-DIA-842b4336-10
0.342
CHR-SOS-f7373dd1-5
0.342
JAN-UNI-2e92c4b1-1
0.342
MAK-UNK-c749d764-27
0.342
MAR-TRE-7f7bb9f0-16
0.341
KEI-TRE-d5e2018a-27
0.341
MAK-UNK-c749d764-9
0.341
ADA-UNI-f8e79267-8
0.341
JOH-IMS-62aeb97d-1
0.338
DAR-DIA-23aa0b97-16
0.338
ALE-HEI-f28a35b5-4
0.338
WIL-UNI-5578df48-14
0.338
KEI-TRE-d5e2018a-25
0.337