Molecular Properties | |
SMILES: | N#Cc1cccc(CC(=O)Nc2cnccc2CN2CCNCC2)c1 |
MW: | 335.17 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 81.05 |
cLogP: | 1.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-27
SAD-SAT-24589cd1-6
0.775
SAD-SAT-24589cd1-8
0.633
MAK-UNK-748f8b7a-9
0.588
SAD-SAT-24589cd1-5
0.556
TRY-UNI-714a760b-20
0.549
SAD-SAT-24589cd1-1
0.523
SAD-SAT-24589cd1-3
0.523
SAD-SAT-24589cd1-10
0.505
SAD-SAT-24589cd1-9
0.500
TRY-UNI-714a760b-19
0.483
ANN-UNI-26382800-5
0.482
RAL-THA-2d450e86-12
0.456
SAD-SAT-7d5528d9-1
0.406
MAK-UNK-6ca90168-23
0.404
JOR-UNI-61e7b1d5-26
0.398
JOR-UNI-61e7b1d5-12
0.392
DAR-DIA-23aa0b97-4
0.386
ALP-POS-95b75b4d-9
0.385
THO-SYG-cc9e9a11-7
0.379
JOH-UNI-abfda500-4
0.378
SAD-SAT-7d5528d9-2
0.374
THO-SYG-cc9e9a11-8
0.373
JIN-POS-6dc588a4-3
0.370
ALP-POS-95b75b4d-8
0.364
SAM-UNK-2684b532-13
0.364
ANN-UNI-98d2bf15-3
0.363
JOH-UNI-abfda500-5
0.363
PAT-UNK-b2d83456-1
0.360
MAT-POS-ee51dedd-1
0.360
ALP-POS-95b75b4d-6
0.360
TRY-UNI-9f475305-1
0.358
JIN-POS-6dc588a4-6
0.358
ANU-UNK-2781581f-2
0.357
BEN-DND-61647d40-8
0.356
TRY-UNI-714a760b-6
0.356
TRY-UNI-2eddb1ff-1
0.355
DAR-DIA-0cde14eb-14
0.354
ALP-POS-95b75b4d-7
0.351
MAT-POS-c20a539d-5
0.350
PET-UNK-6314f867-2
0.350
DAR-DIA-03336633-4
0.348
MAT-POS-bb423b95-4
0.347
ALP-POS-95b75b4d-5
0.347
JOH-UNI-abfda500-7
0.347
PET-UNK-c9c1e0d8-2
0.347
DAR-DIA-0cde14eb-1
0.344
TRY-UNI-1fd04853-6
0.343
JAN-GHE-83b26c96-13
0.341
ALP-POS-95b75b4d-2
0.341
EDJ-MED-e58735b6-2
0.341
SAM-UNK-2684b532-11
0.340
SAM-UNK-2684b532-12
0.340
JIN-POS-6dc588a4-4
0.340
MAT-POS-bb423b95-5
0.340
RUB-POS-1325a9ea-19
0.340
DAR-DIA-0cde14eb-2
0.340
JAN-GHE-83b26c96-12
0.337
ALP-POS-95b75b4d-1
0.337
ALP-POS-95b75b4d-10
0.337
DAR-DIA-0cde14eb-4
0.337
DAR-DIA-03336633-9
0.337
SEA-TRI-f93fcab4-1
0.337
JOR-UNI-61e7b1d5-27
0.336
MAT-POS-bb423b95-9
0.333
DAR-DIA-0cde14eb-79
0.333
DAR-DIA-03336633-8
0.333
GAB-REV-70cc3ca5-19
0.333
JOR-UNI-61e7b1d5-13
0.333
JOR-UNI-61e7b1d5-16
0.330
DAR-DIA-03336633-10
0.330
ALP-POS-0c2c77e1-1
0.330
MAT-POS-bb423b95-3
0.330
ALP-POS-95b75b4d-4
0.330
BEN-DND-61647d40-7
0.330
EDJ-MED-e58735b6-1
0.330
DAR-DIA-03336633-7
0.327
JAN-GHE-83b26c96-14
0.326
ALP-POS-95b75b4d-3
0.326
ANN-UNI-98d2bf15-2
0.326
DAR-DIA-0cde14eb-76
0.326
CHA-KIN-ceadbd93-5
0.326
JOR-UNI-61e7b1d5-14
0.324
DAR-DIA-0cde14eb-3
0.323
MIC-UNK-2744a8e2-1
0.321
RAL-THA-901e9a10-7
0.320
BRU-LEF-c49414a7-1
0.320
JOH-UNI-61f30276-4
0.320
MAT-POS-bb423b95-1
0.320
EDJ-MED-e58735b6-3
0.320
DAR-DIA-0cde14eb-78
0.320
AGN-NEW-c7b24fe3-4
0.319
THO-SYG-cc9e9a11-3
0.318
EDJ-MED-e58735b6-4
0.317
PET-UNK-6314f867-3
0.317
ANN-UNI-98d2bf15-5
0.316
PET-UNK-7f7e354d-7
0.316
TRY-UNI-714a760b-24
0.316
MAT-POS-bb423b95-2
0.313
MAT-POS-f7918075-5
0.313
DAR-DIA-23aa0b97-3
0.312