Molecular Properties | |
SMILES: | Cc1ccncc1NCC1CCN(Cc2cccc(Cl)c2)CC1 |
MW: | 329.17 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 28.16 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-7
0.610
SAD-SAT-7d5528d9-18
0.595
SAD-SAT-7d5528d9-6
0.523
SAD-SAT-7d5528d9-35
0.462
SAD-SAT-7d5528d9-8
0.460
SAD-SAT-7d5528d9-12
0.444
EDG-MED-0da5ad92-6
0.432
TRY-UNI-714a760b-6
0.415
SAD-SAT-7d5528d9-27
0.413
AAR-POS-0daf6b7e-29
0.411
JOH-IMS-1436231f-6
0.411
JAN-GHE-83b26c96-17
0.405
SAD-SAT-7d5528d9-4
0.400
SAD-SAT-7d5528d9-21
0.398
ALP-POS-f13221e1-4
0.395
SAD-SAT-7d5528d9-49
0.391
SAD-SAT-7d5528d9-15
0.389
SAD-SAT-7d5528d9-1
0.387
SAD-SAT-7d5528d9-24
0.386
JOH-UNI-0e1753c1-2
0.380
SAD-SAT-7d5528d9-5
0.372
MAK-UNK-6ca90168-13
0.370
JOH-UNI-23d9e1b1-1
0.370
JOH-UNI-0e1753c1-1
0.369
MAT-POS-136e7878-1
0.364
AAR-POS-d2a4d1df-35
0.362
HYO-UNK-49a60884-1
0.362
MED-COV-4280ac29-15
0.362
JOH-UNI-0e1753c1-3
0.362
EDG-MED-0da5ad92-3
0.360
JAN-GHE-83b26c96-8
0.359
MAK-UNK-f203cb68-18
0.356
EDG-MED-0da5ad92-10
0.356
JAN-GHE-83b26c96-22
0.356
SAD-SAT-7d5528d9-11
0.355
SAD-SAT-7d5528d9-50
0.354
DAR-DIA-2964957d-2
0.352
TRY-UNI-714a760b-18
0.352
JAN-GHE-83b26c96-5
0.352
TRY-UNI-2eddb1ff-5
0.352
TRY-UNI-2eddb1ff-4
0.352
JAN-GHE-83b26c96-4
0.352
BAR-COM-0f94fc3d-38
0.352
EDG-MED-0da5ad92-20
0.351
SAD-SAT-7d5528d9-36
0.351
EDG-MED-0da5ad92-5
0.348
JAN-GHE-83b26c96-9
0.348
SAM-UNK-2684b532-8
0.347
SAD-SAT-7d5528d9-42
0.347
UNK-UNK-2ede4078-98
0.346
EDG-MED-0da5ad92-19
0.345
JAN-GHE-83b26c96-21
0.341
JOH-UNI-abfda500-4
0.341
EDG-MED-0da5ad92-1
0.341
JAN-GHE-83b26c96-15
0.341
ALP-POS-95b75b4d-5
0.341
MAT-POS-bb423b95-4
0.341
JAN-GHE-83b26c96-10
0.341
SAM-UNK-2684b532-9
0.340
JAG-UCB-cedd89ab-8
0.337
TRY-UNI-714a760b-12
0.337
JIN-POS-6dc588a4-6
0.337
MAT-POS-1e5f28a7-1
0.337
NAU-LAT-a5c7d7cb-3
0.337
VLA-UCB-05e51b3f-2
0.337
MAK-UNK-f203cb68-4
0.337
RIT-AID-a492ba81-1
0.337
BAR-COM-ebf5acce-7
0.333
SAD-SAT-7d5528d9-16
0.333
MAK-UNK-6ca90168-24
0.333
EDJ-MED-3c65e9ce-4
0.333
JAN-GHE-83b26c96-23
0.333
VLA-UCB-05e51b3f-3
0.330
DAR-DIA-56cf811e-2
0.330
SAD-SAT-7d5528d9-17
0.330
EDG-MED-0da5ad92-11
0.330
JAN-GHE-83b26c96-20
0.330
MED-COV-4280ac29-13
0.330
MAR-TRE-4b834d9a-26
0.327
BAR-COM-ebf5acce-9
0.327
MAK-UNK-f203cb68-19
0.327
JOH-UNI-abfda500-5
0.326
ANN-UNI-98d2bf15-3
0.326
ALP-POS-95b75b4d-4
0.323
MAK-UNK-f203cb68-3
0.320
JAN-GHE-d851b096-1
0.320
SAD-SAT-7d5528d9-54
0.320
PET-UNK-bbe8d7ff-1
0.319
SAM-UNK-2684b532-2
0.319
BAR-COM-0f94fc3d-25
0.319
ALP-POS-95b75b4d-11
0.319
RUB-POS-1325a9ea-19
0.319
EDJ-MED-e66f2cc5-2
0.319
MAT-POS-bb423b95-5
0.319
JIN-POS-6dc588a4-3
0.319
ASH-SAT-43770c7d-3
0.318
DAR-DIA-076fb6ea-4
0.317
SEA-TRI-9e600f3c-1
0.316
SEA-TRI-146a67b6-1
0.316
JOH-UNI-a38a7bdd-4
0.316