Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1CC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1 |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
EDG-MED-0da5ad92-5
0.676
JAN-GHE-83b26c96-8
0.633
MAK-UNK-f203cb68-3
0.630
ADA-UCB-6c2cb422-9
0.538
TRY-UNI-2eddb1ff-5
0.537
JAN-GHE-83b26c96-5
0.537
TRY-UNI-2eddb1ff-4
0.537
JAN-GHE-83b26c96-4
0.537
TRY-UNI-714a760b-18
0.537
JAN-GHE-83b26c96-9
0.531
MAK-UNK-f203cb68-4
0.527
JAN-GHE-83b26c96-10
0.518
MAT-POS-1e5f28a7-1
0.512
MAK-UNK-f203cb68-2
0.500
SAM-UNK-2684b532-1
0.500
NAU-LAT-a5c7d7cb-3
0.500
VLA-UCB-05e51b3f-2
0.500
BEN-DND-93268d01-3
0.475
MAK-UNK-f203cb68-19
0.473
SAM-UNK-2684b532-3
0.467
TRY-UNI-9f475305-3
0.467
TRY-UNI-714a760b-6
0.463
JAN-GHE-83b26c96-1
0.459
TRY-UNI-714a760b-12
0.451
JAG-UCB-cedd89ab-8
0.451
MAK-UNK-f203cb68-21
0.448
MAK-UNK-6ca90168-24
0.446
EDG-MED-0da5ad92-10
0.435
JAN-GHE-83b26c96-22
0.435
BEN-DND-93268d01-2
0.435
JAN-GHE-83b26c96-2
0.432
MAK-UNK-f203cb68-22
0.429
EDG-MED-0da5ad92-6
0.429
JAN-GHE-83b26c96-23
0.425
ALP-POS-f13221e1-4
0.425
TRY-UNI-2eddb1ff-3
0.424
MAK-UNK-f203cb68-9
0.421
MAK-UNK-f203cb68-18
0.419
DAN-RED-da448e80-9
0.418
ERI-UCB-5b47150d-1
0.416
MAT-POS-590ac91e-1
0.416
MAT-POS-590ac91e-2
0.416
BEN-DND-93268d01-14
0.412
DAN-RED-da448e80-1
0.411
DRE-WAB-eb790b7a-1
0.411
BAR-COM-0f94fc3d-38
0.411
PED-UNI-5b7f1100-1
0.411
PED-UNI-8d53fd73-1
0.411
AAR-POS-d2a4d1df-3
0.408
MAK-UNK-6435e6c2-8
0.408
EDG-MED-0da5ad92-3
0.407
EDG-MED-0da5ad92-19
0.407
MAK-UNK-f203cb68-20
0.406
ADA-UNI-f8e79267-11
0.402
ALP-POS-ddb41b15-1
0.402
TRY-UNI-2eddb1ff-2
0.400
EDG-MED-0da5ad92-8
0.400
MAT-POS-590ac91e-13
0.400
MAK-UNK-f203cb68-7
0.398
WIL-MOD-03b86a88-3
0.398
TRY-UNI-714a760b-17
0.398
AHN-SAT-202241f6-1
0.398
MAK-UNK-f203cb68-12
0.396
EDJ-MED-e58735b6-2
0.395
MAK-UNK-f203cb68-10
0.394
ABI-SAT-4d06482b-1
0.393
MAK-UNK-f203cb68-6
0.392
DAN-RED-da448e80-17
0.391
MAK-UNK-f203cb68-13
0.390
BAR-COM-0f94fc3d-19
0.389
JAN-GHE-83b26c96-20
0.389
EDG-MED-0da5ad92-11
0.389
MAK-UNK-f203cb68-16
0.387
ALP-POS-3fc1724e-7
0.387
SAM-UNK-2684b532-7
0.386
DAR-DIA-0cde14eb-79
0.385
MAK-UNK-f203cb68-11
0.385
SAD-SAT-7d5528d9-4
0.384
SAM-UNK-2684b532-10
0.381
ADA-UNI-f8e79267-8
0.381
TRY-UNI-714a760b-22
0.380
EDJ-MED-49816e9b-1
0.379
DAR-DIA-0cde14eb-11
0.379
DAR-DIA-0cde14eb-12
0.379
MAT-POS-5d20d11c-1
0.378
MAT-POS-590ac91e-16
0.378
ALP-POS-95b75b4d-3
0.378
JAN-GHE-83b26c96-14
0.378
DAR-DIA-0cde14eb-76
0.378
MAK-UNK-f203cb68-8
0.378
EDG-MED-0da5ad92-20
0.378
BAR-COM-0f94fc3d-25
0.376
SAM-UNK-2684b532-2
0.376
ALP-POS-95b75b4d-1
0.375
ALP-POS-3fc1724e-6
0.375
SAD-SAT-7d5528d9-7
0.374
MAK-UNK-f203cb68-5
0.374
JOH-UNI-ee5ed7c8-6
0.374
JOH-UNI-3fc3434e-6
0.374
DAN-RED-da448e80-5
0.372