Molecular Properties | |
SMILES: | Cc1nnc(C(C(=O)Nc2cnccc2C)c2cccc(Cl)c2)s1 |
MW: | 358.07 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 67.77 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
SAM-UNK-2684b532-3
1.000
SAM-UNK-2684b532-1
0.636
TRY-UNI-2eddb1ff-5
0.558
TRY-UNI-2eddb1ff-4
0.558
JAN-GHE-83b26c96-5
0.558
JAN-GHE-83b26c96-4
0.558
TRY-UNI-714a760b-18
0.558
JAN-GHE-83b26c96-9
0.551
EDG-MED-0da5ad92-5
0.551
MAT-POS-1e5f28a7-1
0.550
JAN-GHE-83b26c96-10
0.537
JAN-GHE-83b26c96-8
0.518
MAK-UNK-f203cb68-19
0.506
MAK-UNK-f203cb68-3
0.500
MAK-UNK-f203cb68-22
0.489
NAU-LAT-a5c7d7cb-3
0.483
VLA-UCB-05e51b3f-2
0.483
MAK-UNK-f203cb68-1
0.467
MAK-UNK-f203cb68-21
0.462
ADA-UCB-6c2cb422-9
0.458
TRY-UNI-2eddb1ff-3
0.457
EDG-MED-0da5ad92-10
0.451
JAN-GHE-83b26c96-22
0.451
SAM-UNK-2684b532-4
0.451
JAG-UCB-cedd89ab-8
0.450
TRY-UNI-714a760b-12
0.450
MAK-UNK-f203cb68-4
0.447
MAK-UNK-6ca90168-24
0.444
TRY-UNI-714a760b-6
0.444
ALP-POS-ddb41b15-1
0.441
TRY-UNI-9f475305-4
0.441
MAK-UNK-f203cb68-18
0.434
MAK-UNK-f203cb68-20
0.433
PET-SGC-01d224dd-1
0.427
TRY-UNI-9f475305-5
0.427
MAK-UNK-f203cb68-15
0.427
ALP-POS-f13221e1-4
0.424
JAN-GHE-83b26c96-23
0.424
EDG-MED-0da5ad92-3
0.422
EDG-MED-0da5ad92-19
0.422
BEN-DND-93268d01-3
0.420
SAM-UNK-2684b532-7
0.417
BEN-DND-93268d01-2
0.417
MAK-UNK-f203cb68-16
0.416
MAK-UNK-f203cb68-17
0.416
WIL-LEE-1f71e281-3
0.415
MAT-POS-590ac91e-2
0.413
ERI-UCB-5b47150d-1
0.413
MAT-POS-590ac91e-1
0.413
TRY-UNI-714a760b-17
0.412
AHN-SAT-202241f6-1
0.412
ALE-HEI-f28a35b5-2
0.412
EDG-MED-0da5ad92-6
0.410
TRY-UNI-714a760b-22
0.409
BAR-COM-0f94fc3d-38
0.409
ABI-SAT-4d06482b-1
0.407
DAR-DIA-0cde14eb-11
0.407
BAR-COM-0f94fc3d-25
0.404
MAK-UNK-f203cb68-9
0.404
JAN-GHE-83b26c96-20
0.402
BAR-COM-0f94fc3d-19
0.402
EDG-MED-0da5ad92-11
0.402
MAT-POS-590ac91e-13
0.397
MAK-UNK-f203cb68-14
0.396
BEN-DND-93268d01-14
0.393
DAR-DIA-0cde14eb-12
0.391
ALE-HEI-f28a35b5-3
0.390
MAK-UNK-f203cb68-6
0.389
SAM-UNK-2684b532-2
0.389
JAN-GHE-83b26c96-2
0.382
WIL-MOD-03b86a88-3
0.380
DAR-DIA-0cde14eb-10
0.380
SAM-UNK-2684b532-5
0.378
SAM-UNK-2684b532-6
0.378
MAK-UNK-f203cb68-10
0.378
EDJ-MED-e58735b6-2
0.376
DAR-DIA-0cde14eb-13
0.376
EDG-MED-0da5ad92-20
0.375
MAT-POS-5d20d11c-1
0.375
MAT-POS-590ac91e-16
0.375
MAK-UNK-f203cb68-13
0.374
SAD-SAT-7d5528d9-7
0.371
DAN-RED-da448e80-9
0.370
JAN-GHE-83b26c96-21
0.369
MAK-UNK-f203cb68-7
0.367
SAD-SAT-7d5528d9-4
0.367
MAK-UNK-f203cb68-12
0.366
MIC-UNK-d36ab305-4
0.366
AAR-POS-d2a4d1df-3
0.366
MAK-UNK-6435e6c2-8
0.366
EDG-MED-0da5ad92-8
0.365
TRY-UNI-2eddb1ff-2
0.365
BEN-DND-6de5dfa0-10
0.365
DAR-DIA-0cde14eb-15
0.365
MAR-TRE-4b834d9a-26
0.364
TRY-UNI-2eddb1ff-8
0.364
DAN-RED-da448e80-1
0.363
PED-UNI-5b7f1100-1
0.363
DRE-WAB-eb790b7a-1
0.363
PED-UNI-8d53fd73-1
0.363