Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)CC(C(=O)Nc1cnccc1C)c1cccc(Cl)c1 |
MW: | 408.14 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
EDG-MED-0da5ad92-5
0.735
JAN-GHE-83b26c96-8
0.685
MAK-UNK-f203cb68-1
0.630
ADA-UCB-6c2cb422-9
0.593
JAN-GHE-83b26c96-4
0.581
TRY-UNI-714a760b-18
0.581
JAN-GHE-83b26c96-5
0.581
TRY-UNI-2eddb1ff-4
0.581
TRY-UNI-2eddb1ff-5
0.581
JAN-GHE-83b26c96-9
0.573
JAN-GHE-83b26c96-10
0.558
MAT-POS-1e5f28a7-1
0.551
TRY-UNI-714a760b-6
0.541
SAM-UNK-2684b532-1
0.537
NAU-LAT-a5c7d7cb-3
0.536
VLA-UCB-05e51b3f-2
0.536
MAK-UNK-f203cb68-4
0.529
BEN-DND-93268d01-3
0.514
JAN-GHE-83b26c96-1
0.513
ALP-POS-f13221e1-4
0.513
MAK-UNK-f203cb68-19
0.506
TRY-UNI-9f475305-3
0.500
SAM-UNK-2684b532-3
0.500
JAG-UCB-cedd89ab-8
0.487
TRY-UNI-714a760b-12
0.487
MAK-UNK-6ca90168-24
0.481
EDJ-MED-e58735b6-2
0.481
MAK-UNK-f203cb68-20
0.478
MAK-UNK-f203cb68-21
0.478
MAT-POS-590ac91e-11
0.472
MAK-UNK-6ca90168-26
0.471
BEN-DND-93268d01-2
0.468
MAK-UNK-f203cb68-22
0.457
TRY-UNI-2eddb1ff-3
0.456
EDG-MED-0da5ad92-10
0.450
JAN-GHE-83b26c96-22
0.450
MAK-UNK-f203cb68-18
0.450
TRY-UNI-2eddb1ff-2
0.449
EDG-MED-0da5ad92-8
0.449
MAT-POS-590ac91e-7
0.447
DAN-RED-da448e80-9
0.447
EDG-MED-0da5ad92-6
0.443
WIL-MOD-03b86a88-3
0.442
PED-UNI-8d53fd73-1
0.440
DAN-RED-da448e80-1
0.440
PED-UNI-5b7f1100-1
0.440
DRE-WAB-eb790b7a-1
0.440
EDG-MED-0da5ad92-3
0.438
EDG-MED-0da5ad92-19
0.438
ALP-POS-95b75b4d-1
0.438
EDG-MED-0da5ad92-11
0.434
JAN-GHE-83b26c96-20
0.434
SAM-UNK-2684b532-7
0.432
ERI-UCB-5b47150d-1
0.431
ASH-SAT-43770c7d-9
0.431
MAT-POS-590ac91e-1
0.431
MAT-POS-590ac91e-2
0.431
MAK-UNK-f203cb68-16
0.430
JAN-GHE-83b26c96-2
0.429
AHN-SAT-202241f6-1
0.429
TRY-UNI-714a760b-17
0.429
RIT-AID-a492ba81-1
0.427
ALP-POS-ddb41b15-1
0.426
WIL-WAB-6ef46ddb-1
0.425
PET-SGC-d5b502b1-1
0.425
BEN-DND-93268d01-14
0.425
JAN-GHE-83b26c96-13
0.425
ALP-POS-95b75b4d-2
0.425
BAR-COM-0f94fc3d-38
0.424
ABI-SAT-4d06482b-1
0.423
GAB-REV-70cc3ca5-21
0.423
JAN-GHE-83b26c96-23
0.422
MAK-UNK-f203cb68-12
0.421
TRY-UNI-714a760b-5
0.421
JAN-GHE-83b26c96-12
0.420
RAL-THA-6b94ceba-7
0.419
BAR-COM-0f94fc3d-25
0.419
DAN-RED-da448e80-17
0.419
BAR-COM-0f94fc3d-19
0.417
WIL-MOD-03b86a88-2
0.416
MAT-POS-590ac91e-6
0.416
RAL-THA-6b94ceba-5
0.414
BAR-COM-0f94fc3d-41
0.414
MAT-POS-590ac91e-13
0.413
DAR-DIA-0cde14eb-79
0.412
RAL-THA-6b94ceba-6
0.412
MAT-POS-c9973a83-1
0.412
ALP-POS-3fc1724e-7
0.410
EDJ-MED-e58735b6-1
0.410
RAL-THA-6b94ceba-14
0.409
WIL-MOD-03b86a88-5
0.409
MAK-UNK-f203cb68-11
0.408
MAT-POS-5d20d11c-1
0.408
MAT-POS-590ac91e-16
0.408
TRY-UNI-714a760b-22
0.407
ALP-POS-95b75b4d-4
0.407
ALP-POS-90c18d1d-1
0.407
SAM-UNK-2684b532-10
0.407
DAR-DIA-0cde14eb-76
0.405
JAN-GHE-83b26c96-14
0.405