Molecular Properties | |
SMILES: | N#Cc1cccc(NC(=O)Nc2cnccc2CCNC(=O)NC2CCCCC2)c1 |
MW: | 406.49 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 118.94 |
cLogP: | 3.77168 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAR-DIA-03336633-3
0.744
DAR-DIA-03336633-1
0.724
HAN-NEW-5f56c3bc-3
0.724
CES-WAB-18e74d70-1
0.628
PET-SGC-c429dc17-1
0.628
DAR-DIA-03336633-5
0.585
DAR-DIA-03336633-7
0.573
DAR-DIA-03336633-6
0.529
MAK-UNK-f2409524-15
0.495
DAR-DIA-03336633-2
0.490
TRY-UNI-714a760b-24
0.489
MAK-UNK-f2409524-35
0.458
MAK-UNK-f2409524-36
0.452
LON-WEI-af038623-1
0.444
DAR-DIA-23aa0b97-5
0.438
WAR-XCH-eb7b662f-1
0.438
ANN-UNI-26382800-4
0.438
JOR-UNI-61e7b1d5-2
0.438
DAR-DIA-03336633-11
0.437
DAR-DIA-23aa0b97-11
0.420
TRY-UNI-714a760b-23
0.412
AAR-POS-d2a4d1df-12
0.411
DAR-DIA-23aa0b97-8
0.409
MAK-UNK-f2409524-31
0.406
MAK-UNK-f2409524-27
0.402
MAK-UNK-f2409524-33
0.402
MAK-UNK-f2409524-32
0.400
MAK-UNK-f2409524-34
0.389
MIC-UNK-2744a8e2-3
0.389
MAK-UNK-f2409524-18
0.381
DAR-DIA-23aa0b97-4
0.379
MAK-UNK-f2409524-16
0.375
MAK-UNK-30aad1f1-4
0.374
ALE-HEI-f28a35b5-8
0.374
MAK-UNK-f2409524-2
0.368
TRY-UNI-714a760b-11
0.366
ALE-HEI-f28a35b5-7
0.366
ANN-UNI-26382800-6
0.362
MAK-UNK-f2409524-17
0.361
HAR-NEW-ca1d46ce-2
0.360
MAK-UNK-f2409524-26
0.358
SAD-SAT-24589cd1-8
0.353
NIM-UNI-363644a0-2
0.353
CHA-KIN-ceadbd93-3
0.351
DAR-DIA-23aa0b97-3
0.350
AAR-UNI-c25c2f1e-3
0.350
MAK-UNK-748f8b7a-6
0.348
SAD-SAT-24589cd1-6
0.348
DAR-DIA-0cde14eb-9
0.346
DAR-DIA-23aa0b97-18
0.346
MIC-UNK-2744a8e2-9
0.345
MIC-UNK-2744a8e2-2
0.343
MIC-UNK-2744a8e2-8
0.342
MIC-UNK-2744a8e2-5
0.342
DAR-DIA-23aa0b97-1
0.340
WAR-XCH-6eb0722e-1
0.339
MIC-UNK-2744a8e2-13
0.339
MIC-UNK-1e397c67-1
0.339
JOR-UNI-61e7b1d5-18
0.339
MIC-UNK-2744a8e2-6
0.339
MIC-UNK-2744a8e2-7
0.333
SAD-SAT-24589cd1-10
0.333
MAK-UNK-f2409524-1
0.333
WIL-UNI-5578df48-11
0.333
HAR-NEW-ca1d46ce-1
0.333
MAK-UNK-f2409524-21
0.330
DAR-DIA-23aa0b97-19
0.330
MAK-UNK-f2409524-28
0.327
WAR-XCH-6eb0722e-3
0.327
CHA-KIN-ceadbd93-2
0.327
MAK-UNK-748f8b7a-9
0.325
SAD-SAT-24589cd1-5
0.324
CHA-KIN-ceadbd93-5
0.324
DAR-DIA-03336633-9
0.321
SAD-SAT-24589cd1-1
0.321
TRY-UNI-714a760b-20
0.320
SAD-SAT-24589cd1-9
0.319
JOR-UNI-61e7b1d5-20
0.319
CHR-SOS-363cfb78-2
0.317
MAK-UNK-f2409524-30
0.317
MIC-UNK-2744a8e2-4
0.315
CHA-KIN-ceadbd93-6
0.315
MAK-UNK-f2409524-19
0.315
DAR-DIA-0cde14eb-8
0.314
DAR-DIA-0cde14eb-7
0.314
MAK-UNK-f2409524-3
0.314
MAK-UNK-30aad1f1-15
0.312
NIM-UNI-310206f0-21
0.311
TRY-UNI-9f475305-10
0.311
PET-SGC-a9e9d4f4-1
0.311
JOR-UNI-61e7b1d5-9
0.309
MAK-UNK-6ca90168-25
0.308
MIC-UNK-2744a8e2-14
0.308
ANN-UNI-26382800-5
0.307
DAR-DIA-0cde14eb-5
0.305
TAT-ENA-80bfd3e5-10
0.305
DAR-DIA-03336633-10
0.304
DAR-DIA-0cde14eb-54
0.304
MAK-UNK-f2409524-29
0.303
MAK-UNK-30aad1f1-8
0.303