Molecular Properties | |
SMILES: | N#C/N=C(\Nc1ccccc1)Nc1cccnc1 |
MW: | 237.266 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 73.1 |
cLogP: | 2.44268 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
cyanate/aminonitrile/thiocyanate
imine
imine
Filter86_cyanamide
Aminonitrile
AAR-POS-d2a4d1df-4
JAN-UNI-2e92c4b1-2
0.600
AAR-POS-d2a4d1df-11
0.500
SAN-PRS-52b81272-2
0.417
SAN-PRS-52b81272-3
0.417
MAR-TRE-67513f76-81
0.407
WIL-UNI-5578df48-2
0.400
JOH-UNK-14e6adc5-2
0.397
ANN-UNI-26382800-3
0.397
MAK-UNK-ca11b4f7-3
0.375
AUS-ARG-7cfdce8f-11
0.375
MAK-UNK-ca11b4f7-2
0.375
ANN-UNI-26382800-5
0.371
JOH-IMS-62aeb97d-5
0.368
MAK-UNK-ca11b4f7-1
0.368
DAR-DIA-842b4336-9
0.368
SAD-SAT-689b7d5a-4
0.366
BEN-DND-031a96cc-8
0.365
DAR-DIA-842b4336-14
0.362
CHR-SOS-363cfb78-1
0.358
EDG-MED-0da5ad92-2
0.358
DAR-DIA-842b4336-5
0.358
DAR-DIA-fc970077-9
0.354
ALE-HEI-f28a35b5-16
0.354
JOH-IMS-62aeb97d-4
0.354
WIL-UNI-5578df48-6
0.354
WAR-XCH-eb7b662f-1
0.353
JOR-UNI-61e7b1d5-2
0.353
ANN-UNI-26382800-4
0.353
MAR-TRE-9c797165-46
0.353
SAD-SAT-2fd372d1-7
0.353
MAK-UNK-a7b37c5e-2
0.353
DAR-DIA-23aa0b97-5
0.353
CHR-SOS-f7373dd1-4
0.352
DAR-DIA-23aa0b97-17
0.352
WIL-UNI-5578df48-3
0.352
WIL-UNI-5578df48-15
0.352
DAR-DIA-842b4336-15
0.352
ISA-SCH-8e98219b-1
0.349
SAD-SAT-24589cd1-4
0.344
JOH-IMS-62aeb97d-3
0.343
DAR-DIA-23aa0b97-16
0.343
MAK-UNK-a7b37c5e-1
0.343
DAR-DIA-842b4336-6
0.343
WIL-UNI-5578df48-1
0.343
ADA-UNI-f8e79267-6
0.342
CHR-SOS-f7373dd1-1
0.342
CHR-SOS-7098f804-14
0.342
DAR-DIA-842b4336-2
0.338
MAK-UNK-d1e89583-1
0.338
MAK-UNK-a7b37c5e-4
0.338
WAR-XCH-eb7b662f-2
0.338
CHR-SOS-70e4c98a-6
0.338
BEN-DND-362d364a-12
0.338
MAR-TRE-74c6519b-55
0.338
DRE-WAB-ae4a693c-1
0.338
PET-SGC-d0156db4-1
0.338
PET-SGC-b0f8bd49-1
0.338
CHR-SOS-59746812-5
0.338
CHR-SOS-363cfb78-3
0.338
ALE-HEI-f28a35b5-15
0.333
MAR-TRE-74c6519b-47
0.333
MAK-UNK-a7b37c5e-5
0.333
ALE-HEI-f28a35b5-14
0.333
DAR-DIA-fc970077-14
0.333
CHR-SOS-7098f804-13
0.333
CHR-SOS-7098f804-18
0.329
CHR-SOS-70e4c98a-1
0.329
EMI-TUK-a58865cc-6
0.329
WIL-UNI-5578df48-4
0.329
CHR-SOS-70e4c98a-8
0.329
ADA-UNI-f8e79267-5
0.329
MAR-TRE-2fd8122f-69
0.329
MAR-TRE-04c86cea-97
0.329
MAK-UNK-d1e89583-8
0.329
MAR-TRE-7f7bb9f0-74
0.329
ISA-SCH-8e98219b-4
0.328
MAK-UNK-d1e89583-7
0.328
ALE-HEI-f28a35b5-8
0.328
DAR-DIA-842b4336-10
0.328
DAR-DIA-842b4336-1
0.328
MAK-UNK-30aad1f1-12
0.325
WIL-UNI-5578df48-19
0.324
EMI-TUK-a58865cc-5
0.324
CHR-SOS-59746812-1
0.324
WIL-UNI-5578df48-8
0.324
MAR-TRE-9c797165-80
0.324
MAR-TRE-2fd8122f-67
0.324
MAK-UNK-c749d764-17
0.324
WAR-XCH-eb7b662f-3
0.323
KEI-TRE-d5e2018a-28
0.321
MAR-TRE-f6f5f473-29
0.321
MAR-TRE-2fd8122f-68
0.321
CHR-SOS-7098f804-16
0.321
CHR-SOS-70e4c98a-3
0.320
ADA-UNI-f8e79267-4
0.320
ASH-UNK-40b46b30-3
0.320
EMI-TUK-a58865cc-3
0.320
KEI-TRE-d5e2018a-81
0.320
WIL-UNI-5578df48-7
0.319
MAR-TRE-2fd8122f-57
0.319