Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)c1ccc(Cl)cc1C(C)C(=O)Nc1cnccc1C |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.98 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
MAK-UNK-f203cb68-17
0.571
MAK-UNK-f203cb68-6
0.568
MAK-UNK-f203cb68-14
0.544
TRY-UNI-2eddb1ff-4
0.513
JAN-GHE-83b26c96-5
0.513
TRY-UNI-2eddb1ff-5
0.513
JAN-GHE-83b26c96-4
0.513
TRY-UNI-714a760b-18
0.513
MAK-UNK-f203cb68-16
0.512
TRY-UNI-2eddb1ff-3
0.507
MAK-UNK-f203cb68-22
0.483
TRY-UNI-714a760b-17
0.459
AHN-SAT-202241f6-1
0.459
JAN-GHE-83b26c96-10
0.457
MAK-UNK-f203cb68-21
0.456
JAN-GHE-83b26c96-9
0.450
MAK-UNK-f203cb68-19
0.448
TRY-UNI-2eddb1ff-8
0.444
ERI-UCB-5b47150d-1
0.443
MAT-POS-590ac91e-2
0.443
MAT-POS-590ac91e-1
0.443
TRY-UNI-714a760b-12
0.442
JAG-UCB-cedd89ab-8
0.442
MAT-POS-5d20d11c-1
0.438
MAT-POS-590ac91e-16
0.438
MAK-UNK-f203cb68-5
0.438
MAT-POS-1e5f28a7-1
0.434
EDG-MED-0da5ad92-5
0.432
TRY-UNI-9f475305-3
0.427
SAM-UNK-2684b532-3
0.427
MAT-POS-590ac91e-13
0.425
SAM-UNK-2684b532-1
0.424
JAN-GHE-83b26c96-8
0.424
DAR-DIA-0cde14eb-71
0.419
MAK-UNK-f203cb68-7
0.418
TRY-UNI-714a760b-22
0.417
DAR-DIA-0cde14eb-11
0.414
DAR-DIA-0cde14eb-12
0.414
DAR-DIA-0cde14eb-70
0.412
MAK-UNK-f203cb68-8
0.411
MAK-UNK-f203cb68-20
0.411
DAR-DIA-0cde14eb-72
0.407
DAR-DIA-0cde14eb-73
0.407
MAT-POS-590ac91e-5
0.403
DAR-DIA-0cde14eb-10
0.402
MAK-UNK-6ca90168-24
0.400
MAK-UNK-6ca90168-26
0.400
MAK-UNK-129dcd6f-15
0.400
DAR-DIA-0cde14eb-13
0.398
ABI-SAT-4d06482b-1
0.397
AAR-POS-d2a4d1df-3
0.394
MAK-UNK-6435e6c2-8
0.394
MAK-UNK-f203cb68-4
0.394
MAK-UNK-f203cb68-3
0.393
DAN-RED-da448e80-9
0.391
DAR-DIA-0cde14eb-75
0.389
BEN-DND-6de5dfa0-10
0.388
TRY-UNI-714a760b-16
0.388
MAT-POS-590ac91e-11
0.387
WIL-MOD-03b86a88-3
0.386
DAR-DIA-0cde14eb-15
0.385
BEN-DND-93268d01-14
0.383
TRY-UNI-714a760b-6
0.383
MAK-UNK-129dcd6f-4
0.382
NAU-LAT-a5c7d7cb-3
0.380
VLA-UCB-05e51b3f-2
0.380
BAR-COM-0f94fc3d-25
0.379
BAR-COM-0f94fc3d-58
0.379
ALP-POS-ddb41b15-1
0.379
EDG-MED-0da5ad92-3
0.378
EDG-MED-0da5ad92-19
0.378
BAR-COM-0f94fc3d-41
0.375
PET-SGC-01d224dd-1
0.375
BEN-DND-93268d01-3
0.375
TRY-UNI-9f475305-5
0.375
SAD-SAT-cefd50cc-10
0.375
EDG-MED-0da5ad92-10
0.373
JAN-GHE-83b26c96-22
0.373
MAK-UNK-f203cb68-18
0.373
DAR-DIA-0cde14eb-27
0.371
ADA-UCB-6c2cb422-2
0.371
EDG-MED-0da5ad92-8
0.370
TRY-UNI-2eddb1ff-2
0.370
MAK-UNK-f203cb68-1
0.368
DAR-DIA-0cde14eb-26
0.367
MAK-UNK-6ca90168-27
0.366
ASH-SAT-43770c7d-9
0.365
MAT-POS-6c3d76b3-1
0.365
JAN-GHE-83b26c96-23
0.365
ALP-POS-f13221e1-4
0.365
MAR-TRE-67513f76-68
0.365
MAT-POS-0d6fb2dd-1
0.365
ADA-UCB-6c2cb422-9
0.364
ALE-HEI-f28a35b5-1
0.364
TRY-UNI-714a760b-4
0.364
BEN-DND-22e6b372-4
0.361
MAT-POS-590ac91e-14
0.361
DAR-DIA-0cde14eb-25
0.361
EDG-MED-0da5ad92-11
0.360
JAN-GHE-83b26c96-20
0.360