Molecular Properties | |
SMILES: | N#C/N=C(/Nc1cccnc1)Nc1cncc(C#N)c1 |
MW: | 263.264 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 109.78 |
cLogP: | 1.70936 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
imine
imine
Filter86_cyanamide
too many cyano Groups (>1)
Aminonitrile
CHR-SOS-363cfb78-1
0.623
SWA-SYN-59528602-3
0.600
DAR-DIA-23aa0b97-6
0.493
BEN-DND-61647d40-10
0.479
BEN-DND-61647d40-9
0.473
DAR-DIA-23aa0b97-17
0.444
JAN-UNI-2e92c4b1-1
0.443
DAR-DIA-23aa0b97-10
0.420
CHR-SOS-363cfb78-2
0.419
DAR-DIA-23aa0b97-9
0.412
DAR-DIA-23aa0b97-5
0.408
ANN-UNI-26382800-4
0.408
JOR-UNI-61e7b1d5-2
0.408
WAR-XCH-eb7b662f-1
0.408
DAR-DIA-23aa0b97-2
0.398
WAR-XCH-eb7b662f-2
0.392
BEN-DND-61647d40-21
0.392
ANN-UNI-26382800-3
0.391
JOH-UNK-14e6adc5-2
0.391
ANN-UNI-26382800-5
0.368
DAR-DIA-23aa0b97-7
0.368
BEN-DND-61647d40-5
0.366
BEN-DND-61647d40-6
0.361
DAR-DIA-23aa0b97-15
0.357
BEN-DND-61647d40-4
0.356
MAR-TRE-67513f76-81
0.355
JOR-UNI-61e7b1d5-1
0.354
BEN-DND-61647d40-2
0.349
DAR-DIA-842b4336-9
0.347
MAR-TRE-2fd8122f-69
0.346
BEN-DND-61647d40-1
0.341
MAK-UNK-ca11b4f7-4
0.339
DAR-DIA-842b4336-5
0.338
MAR-TRE-2fd8122f-57
0.338
BEN-DND-61647d40-3
0.337
MAK-UNK-30aad1f1-7
0.333
JOH-IMS-62aeb97d-4
0.333
JOR-UNI-61e7b1d5-7
0.333
JOR-UNI-61e7b1d5-9
0.333
MAK-UNK-ca11b4f7-2
0.328
MAK-UNK-ca11b4f7-3
0.328
MAK-UNK-30aad1f1-8
0.326
MAK-UNK-30aad1f1-12
0.325
WIL-UNI-5578df48-19
0.325
DAR-DIA-842b4336-6
0.325
DAR-DIA-842b4336-14
0.325
JOH-IMS-62aeb97d-3
0.324
DAR-DIA-23aa0b97-16
0.324
MAK-UNK-ca11b4f7-1
0.323
JOH-IMS-62aeb97d-5
0.323
JOR-UNI-61e7b1d5-12
0.323
DAR-DIA-23aa0b97-8
0.321
DAR-DIA-23aa0b97-4
0.321
ALE-HEI-f28a35b5-5
0.320
JOR-UNI-61e7b1d5-3
0.319
JOR-UNI-61e7b1d5-5
0.319
JOR-UNI-61e7b1d5-14
0.319
MAK-UNK-30aad1f1-6
0.319
DAR-DIA-842b4336-15
0.316
MAR-TRE-9c797165-46
0.316
SAD-SAT-2fd372d1-7
0.316
JOR-UNI-61e7b1d5-20
0.315
ALE-HEI-f28a35b5-16
0.315
MAK-UNK-30aad1f1-14
0.314
JOR-UNI-61e7b1d5-22
0.312
JOR-UNI-61e7b1d5-18
0.312
WAR-XCH-6eb0722e-1
0.311
ISA-SCH-8e98219b-4
0.311
MAK-UNK-d1e89583-7
0.311
MAK-UNK-10dfa458-24
0.310
SAN-PRS-52b81272-3
0.310
JOR-UNI-61e7b1d5-21
0.309
AAR-POS-d2a4d1df-11
0.309
JOR-UNI-61e7b1d5-8
0.309
ALE-HEI-f28a35b5-4
0.307
KEI-TRE-d5e2018a-90
0.307
MAR-TRE-2fd8122f-68
0.306
WAR-XCH-eb7b662f-3
0.306
JOR-UNI-61e7b1d5-30
0.305
JOR-UNI-61e7b1d5-28
0.305
MAK-UNK-30aad1f1-1
0.304
JOR-UNI-61e7b1d5-13
0.303
MED-UNK-e6e8ef8a-7
0.303
MED-UNK-e6e8ef8a-1
0.303
EDG-MED-0da5ad92-2
0.303
JOR-UNI-61e7b1d5-26
0.302
MAR-TRE-2fd8122f-27
0.301
DAR-DIA-842b4336-2
0.301
CHR-SOS-7098f804-13
0.301
JOR-UNI-61e7b1d5-15
0.300
JOR-UNI-61e7b1d5-4
0.300
JOR-UNI-61e7b1d5-16
0.299
JOR-UNI-61e7b1d5-24
0.299
CHR-SOS-7098f804-11
0.299
WAR-XCH-6eb0722e-3
0.298
WAR-XCH-eb7b662f-6
0.297
DAR-DIA-23aa0b97-14
0.297
JAN-GHE-83b26c96-19
0.297
WAR-XCH-eb7b662f-7
0.297
JOR-UNI-2fc98d0b-7
0.297