Molecular Properties | |
SMILES: | N#Cc1cncc(NC(=O)Nc2cncc(N)c2)c1 |
MW: | 254.253 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 116.72 |
cLogP: | 1.57448 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
aniline
DAR-DIA-23aa0b97-8
0.638
CHR-SOS-363cfb78-1
0.596
DAR-DIA-23aa0b97-7
0.574
SID-ELM-2583a2cd-5
0.545
CHR-SOS-363cfb78-2
0.516
DAN-PUR-19f24f0c-1
0.510
DAR-DIA-23aa0b97-13
0.492
DAR-DIA-23aa0b97-10
0.446
BEN-DND-61647d40-21
0.439
DAR-DIA-23aa0b97-6
0.439
FRA-FAC-9ed5a63a-5
0.433
BEN-DND-61647d40-10
0.426
BEN-DND-61647d40-9
0.423
JAN-UNI-2e92c4b1-2
0.412
BEN-DND-61647d40-5
0.387
BEN-DND-61647d40-6
0.382
SID-ELM-2583a2cd-16
0.379
BEN-DND-61647d40-1
0.377
BEN-DND-61647d40-3
0.372
BEN-DND-61647d40-2
0.367
DAR-DIA-23aa0b97-2
0.367
MAK-UNK-30aad1f1-3
0.364
BEN-DND-61647d40-4
0.358
DAR-DIA-23aa0b97-3
0.356
MAK-UNK-30aad1f1-16
0.355
DAR-DIA-23aa0b97-5
0.353
ANN-UNI-26382800-4
0.353
WAR-XCH-eb7b662f-1
0.353
JOR-UNI-61e7b1d5-2
0.353
JAN-UNI-2e92c4b1-1
0.348
TRY-UNI-714a760b-23
0.347
WAR-XCH-eb7b662f-2
0.338
JOH-UNK-14e6adc5-2
0.333
ANN-UNI-26382800-3
0.333
DAR-DIA-23aa0b97-17
0.315
SID-ELM-2583a2cd-7
0.313
SID-ELM-2583a2cd-6
0.303
DAR-DIA-23aa0b97-15
0.299
DAR-DIA-842b4336-9
0.292
TRY-UNI-714a760b-24
0.289
SID-ELM-433ea7f3-1
0.289
JOR-UNI-61e7b1d5-1
0.287
MAK-UNK-30aad1f1-6
0.287
MAK-UNK-30aad1f1-7
0.286
SAD-SAT-689b7d5a-3
0.284
MAK-UNK-30aad1f1-2
0.280
MAR-TRE-67513f76-6
0.279
ANN-UNI-26382800-6
0.278
MAK-UNK-30aad1f1-8
0.277
MAK-UNK-30aad1f1-12
0.275
MAR-TRE-a9136c7b-39
0.274
WIL-UNI-5578df48-19
0.273
MAK-UNK-30aad1f1-1
0.273
PET-SGC-0f1d26ed-1
0.269
TRY-UNI-2eddb1ff-1
0.269
IAN-BAS-0bc4bd27-1
0.267
MAK-UNK-129dcd6f-16
0.265
WAR-XCH-6eb0722e-1
0.264
DAR-DIA-842b4336-5
0.264
SID-ELM-8b394441-5
0.264
MAK-UNK-10dfa458-24
0.262
MAK-UNK-30aad1f1-17
0.260
JAN-LUN-3e0f9c09-2
0.259
TRY-UNI-714a760b-19
0.259
JAN-LUN-8953ce76-4
0.259
TRY-UNI-1fd04853-3
0.258
TRY-UNI-1fd04853-2
0.256
DAR-DIA-842b4336-6
0.253
FRA-FAC-9ed5a63a-6
0.253
TRY-UNI-714a760b-21
0.253
MAR-TRE-85681e92-71
0.250
NAU-LAT-b0463c38-7
0.250
TRY-UNI-714a760b-8
0.250
ALE-HEI-f28a35b5-4
0.250
DAR-DIA-23aa0b97-4
0.250
MAK-UNK-30aad1f1-14
0.250
JAN-GHE-fd8d85a5-11
0.250
MAK-UNK-30aad1f1-4
0.247
TRY-UNI-bbd40bb4-1
0.247
JAN-LUN-8953ce76-1
0.247
JAN-LUN-3e0f9c09-4
0.247
JAN-LUN-8953ce76-7
0.247
PET-SGC-0f1d26ed-2
0.247
ANN-UNI-26382800-5
0.247
WAR-XCH-eb7b662f-3
0.246
AAR-POS-d2a4d1df-11
0.246
CHR-SOS-363cfb78-3
0.244
JAN-LUN-3e0f9c09-1
0.244
JAN-LUN-8953ce76-6
0.244
TRY-UNI-714a760b-9
0.244
SID-ELM-b654bfa2-1
0.243
DAN-PUR-19f24f0c-2
0.242
WIL-UNI-5578df48-27
0.241
JOR-UNI-61e7b1d5-7
0.241
JOR-UNI-61e7b1d5-9
0.241
DAR-DIA-03336633-4
0.240
CHR-SOS-363cfb78-5
0.240
WAR-XCH-eb7b662f-6
0.239
DAR-DIA-23aa0b97-14
0.239
JAN-GHE-83b26c96-19
0.239