Molecular Properties | |
SMILES: | C=C(C(=O)Nc1cncc(C#N)c1)c1cccnc1 |
MW: | 250.09 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.67 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
CHR-SOS-363cfb78-1
0.562
DAR-DIA-23aa0b97-6
0.552
BEN-DND-031a96cc-8
0.532
BEN-DND-61647d40-9
0.507
BEN-DND-61647d40-20
0.500
JAN-UNI-2e92c4b1-2
0.479
CHR-SOS-363cfb78-2
0.432
DAR-DIA-23aa0b97-10
0.432
DAR-DIA-23aa0b97-2
0.427
DAR-DIA-23aa0b97-9
0.426
BEN-DND-61647d40-21
0.425
JAN-UNI-2e92c4b1-1
0.417
BEN-DND-61647d40-5
0.412
DAR-DIA-23aa0b97-17
0.400
BEN-DND-61647d40-6
0.390
DAR-DIA-23aa0b97-7
0.382
BEN-DND-61647d40-2
0.376
BEN-DND-61647d40-1
0.369
BEN-DND-61647d40-4
0.368
ANN-UNI-26382800-4
0.365
WAR-XCH-eb7b662f-1
0.365
DAR-DIA-23aa0b97-5
0.365
JOR-UNI-61e7b1d5-2
0.365
BEN-DND-61647d40-3
0.365
WAR-XCH-eb7b662f-2
0.351
DAR-DIA-23aa0b97-4
0.351
JOH-UNK-14e6adc5-2
0.347
ANN-UNI-26382800-3
0.347
MAK-UNK-ca11b4f7-4
0.333
ANN-UNI-26382800-5
0.329
MAR-TRE-2fd8122f-69
0.325
MAK-UNK-ca11b4f7-2
0.323
MAK-UNK-ca11b4f7-3
0.323
BEN-DND-61647d40-7
0.321
JOR-UNI-61e7b1d5-1
0.318
BEN-DND-61647d40-8
0.316
DAR-DIA-23aa0b97-8
0.316
DAR-DIA-23aa0b97-15
0.315
DAR-DIA-bd041b9b-26
0.312
DAR-DIA-842b4336-9
0.308
MAR-TRE-67513f76-81
0.308
MAK-UNK-30aad1f1-6
0.301
MAR-TRE-2fd8122f-57
0.300
JOR-UNI-61e7b1d5-7
0.300
MAK-UNK-30aad1f1-7
0.300
JOR-UNI-61e7b1d5-9
0.300
DAR-DIA-842b4336-5
0.299
MAK-UNK-ca11b4f7-1
0.299
MAK-UNK-30aad1f1-3
0.295
ANT-DIA-3c79be55-2
0.295
MAK-UNK-10dfa458-24
0.292
MAK-UNK-30aad1f1-8
0.292
DAR-DIA-bd041b9b-29
0.292
MAK-UNK-30aad1f1-12
0.291
CHR-SOS-7098f804-12
0.289
WIL-UNI-5578df48-19
0.289
JOR-UNI-61e7b1d5-30
0.289
MAK-UNK-51bb34f9-2
0.289
DAR-DIA-842b4336-6
0.287
DAR-DIA-842b4336-14
0.287
MAK-UNK-30aad1f1-16
0.287
MAK-UNK-30aad1f1-1
0.287
KEI-TRE-d5e2018a-90
0.286
TRY-UNI-2eddb1ff-1
0.286
JOR-UNI-61e7b1d5-20
0.284
MAR-TRE-4f781e27-2
0.284
JOR-UNI-61e7b1d5-16
0.283
MED-UNK-e6e8ef8a-1
0.282
ALE-HEI-f28a35b5-5
0.282
JOR-UNI-61e7b1d5-18
0.281
MAK-UNK-51bb34f9-3
0.281
MAK-UNK-30aad1f1-14
0.281
DAR-DIA-842b4336-15
0.280
WAR-XCH-6eb0722e-1
0.280
JOH-IMS-62aeb97d-5
0.279
CHR-SOS-7098f804-11
0.278
JOR-UNI-61e7b1d5-12
0.278
JOR-UNI-61e7b1d5-8
0.278
JOH-IMS-62aeb97d-4
0.276
JOR-UNI-61e7b1d5-3
0.276
JOR-UNI-61e7b1d5-5
0.276
JOR-UNI-61e7b1d5-28
0.276
JOR-UNI-61e7b1d5-14
0.276
CHR-SOS-f7373dd1-5
0.275
MAR-TRE-a9136c7b-39
0.275
CHR-SOS-363cfb78-3
0.275
TRY-UNI-714a760b-24
0.274
JOR-UNI-61e7b1d5-26
0.273
MAK-UNK-2c1752f0-2
0.273
MAR-TRE-2fd8122f-68
0.273
DAR-DIA-23aa0b97-18
0.272
EMI-TUK-a58865cc-3
0.271
MAR-TRE-e86a56b5-35
0.271
IAN-BAS-df1706d7-1
0.271
SAN-PRS-52b81272-3
0.270
JOR-UNI-61e7b1d5-22
0.270
JOR-UNI-61e7b1d5-24
0.270
MAK-UNK-10dfa458-31
0.270
MAK-UNK-6ca90168-25
0.270
DAR-DIA-23aa0b97-16
0.269