Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(c1ccccc1)c1cccc(Cl)c1 |
MW: | 336.1 |
Fraction sp3: | 0.1 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
TRY-UNI-9f475305-3
0.636
SAM-UNK-2684b532-3
0.636
TRY-UNI-714a760b-18
0.606
TRY-UNI-2eddb1ff-4
0.606
JAN-GHE-83b26c96-5
0.606
TRY-UNI-2eddb1ff-5
0.606
JAN-GHE-83b26c96-4
0.606
JAN-GHE-83b26c96-9
0.597
EDG-MED-0da5ad92-5
0.597
JAN-GHE-83b26c96-10
0.581
JAN-GHE-83b26c96-8
0.579
MAT-POS-1e5f28a7-1
0.573
NAU-LAT-a5c7d7cb-3
0.556
VLA-UCB-05e51b3f-2
0.556
MAK-UNK-f203cb68-3
0.537
BEN-DND-93268d01-3
0.535
AHN-SAT-202241f6-1
0.529
TRY-UNI-714a760b-17
0.529
MAK-UNK-f203cb68-19
0.524
ABI-SAT-4d06482b-1
0.521
BEN-DND-93268d01-2
0.507
MAK-UNK-f203cb68-1
0.500
MAK-UNK-f203cb68-21
0.494
TRY-UNI-2eddb1ff-3
0.493
ADA-UCB-6c2cb422-9
0.489
TRY-UNI-714a760b-12
0.486
JAG-UCB-cedd89ab-8
0.486
MAK-UNK-6ca90168-24
0.480
BEN-DND-93268d01-14
0.480
TRY-UNI-714a760b-6
0.480
MAK-UNK-f203cb68-4
0.477
MAK-UNK-f203cb68-22
0.472
SAM-UNK-2684b532-2
0.469
ALP-POS-ddb41b15-1
0.469
EDG-MED-0da5ad92-10
0.468
JAN-GHE-83b26c96-22
0.468
MIC-UNK-d36ab305-4
0.467
PED-UNI-8d53fd73-1
0.457
PED-UNI-5b7f1100-1
0.457
DAN-RED-da448e80-1
0.457
DRE-WAB-eb790b7a-1
0.457
ALP-POS-f13221e1-4
0.456
MIC-UNK-d36ab305-1
0.456
EDG-MED-0da5ad92-3
0.455
EDG-MED-0da5ad92-19
0.455
BAR-COM-0f94fc3d-25
0.451
BAR-COM-0f94fc3d-19
0.450
ERI-UCB-5b47150d-1
0.449
MAT-POS-590ac91e-1
0.449
MAT-POS-590ac91e-2
0.449
MAK-UNK-f203cb68-18
0.449
EDG-MED-0da5ad92-20
0.448
MAK-UNK-f203cb68-20
0.446
EDG-MED-0da5ad92-6
0.442
JAN-GHE-83b26c96-23
0.438
EDG-MED-0da5ad92-11
0.432
JAN-GHE-83b26c96-20
0.432
MAT-POS-590ac91e-13
0.431
SAM-UNK-2684b532-7
0.430
BEN-DND-6de5dfa0-10
0.429
MAK-UNK-f203cb68-16
0.429
JAN-GHE-83b26c96-2
0.427
ALE-HEI-f28a35b5-1
0.425
TRY-UNI-714a760b-4
0.425
MAK-UNK-f203cb68-15
0.424
BAR-COM-0f94fc3d-38
0.422
TRY-UNI-714a760b-22
0.422
ALP-POS-3fc1724e-6
0.422
SAM-UNK-2684b532-10
0.420
MAK-UNK-f203cb68-12
0.419
TRY-UNI-714a760b-5
0.419
DAR-DIA-0cde14eb-11
0.419
DAR-DIA-0cde14eb-12
0.419
TRY-UNI-2eddb1ff-8
0.418
MAT-POS-590ac91e-5
0.408
DAR-DIA-0cde14eb-10
0.407
MAK-UNK-6ca90168-26
0.406
MAT-POS-590ac91e-16
0.405
MAT-POS-5d20d11c-1
0.405
EDJ-MED-e58735b6-2
0.405
SAM-UNK-2684b532-5
0.405
SAM-UNK-2684b532-6
0.405
DAR-DIA-0cde14eb-13
0.402
MAR-TRE-4b834d9a-26
0.402
MAK-UNK-f203cb68-10
0.402
MAK-UNK-6435e6c2-8
0.400
AAR-POS-d2a4d1df-3
0.400
MAK-UNK-f203cb68-9
0.400
JAN-GHE-83b26c96-21
0.397
SAD-SAT-7d5528d9-7
0.396
DAN-RED-da448e80-9
0.395
MAK-UNK-f203cb68-17
0.395
JAN-GHE-83b26c96-17
0.395
TRY-UNI-714a760b-16
0.392
EDG-MED-0da5ad92-8
0.392
TRY-UNI-2eddb1ff-2
0.392
MAK-UNK-f203cb68-11
0.392
MAK-UNK-f203cb68-7
0.391
SAD-SAT-7d5528d9-4
0.391
MAK-UNK-902cc841-15
0.391