Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Nc1cccc(C2(I)CC2)c1 |
MW: | 393.03 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 54.02 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
iodine
Filter6_benzyl_halide
Filter9_metal
unacceptable atoms
Alkyl Halide
DAR-DIA-0cde14eb-5
0.716
DAR-DIA-0cde14eb-6
0.706
DAR-DIA-0cde14eb-7
0.706
DAR-DIA-0cde14eb-9
0.686
JAG-UCB-cedd89ab-8
0.588
TRY-UNI-714a760b-12
0.588
TRY-UNI-714a760b-24
0.577
DAR-DIA-0cde14eb-38
0.570
DAR-DIA-0cde14eb-53
0.564
DAR-DIA-0cde14eb-13
0.558
DAR-DIA-0cde14eb-23
0.554
DAR-DIA-0cde14eb-4
0.553
ALE-HEI-f28a35b5-1
0.545
TRY-UNI-714a760b-4
0.545
DAR-DIA-0cde14eb-68
0.541
DAR-DIA-0cde14eb-69
0.500
DAR-DIA-0cde14eb-65
0.500
DAR-DIA-0cde14eb-66
0.494
DAR-DIA-0cde14eb-67
0.494
DAR-DIA-0cde14eb-20
0.482
CHR-SOS-363cfb78-2
0.480
DAR-DIA-0cde14eb-22
0.471
DAR-DIA-0cde14eb-24
0.467
DAR-DIA-0cde14eb-21
0.466
EDG-MED-0da5ad92-11
0.443
JAN-GHE-83b26c96-20
0.443
MAK-UNK-129dcd6f-9
0.439
WAR-XCH-e55cba98-9
0.432
DAR-DIA-0cde14eb-1
0.432
MAK-UNK-129dcd6f-15
0.432
MAK-UNK-129dcd6f-4
0.429
ALE-HEI-f28a35b5-13
0.423
MAT-POS-590ac91e-15
0.421
ALE-HEI-f28a35b5-2
0.419
ALE-HEI-f28a35b5-7
0.419
TRY-UNI-714a760b-11
0.419
DAR-DIA-0cde14eb-10
0.417
DAR-DIA-0cde14eb-15
0.414
DAR-DIA-0cde14eb-28
0.413
AAR-POS-d2a4d1df-3
0.413
MAK-UNK-6435e6c2-8
0.413
CHR-SOS-1f323c23-10
0.412
CHR-SOS-6c45c019-16
0.412
DAR-DIA-0cde14eb-11
0.412
DAR-DIA-0cde14eb-12
0.412
MAT-POS-590ac91e-27
0.410
TRY-UNI-1fd04853-2
0.410
CHR-SOS-6c45c019-11
0.410
DAR-DIA-0cde14eb-2
0.410
DAR-DIA-0cde14eb-35
0.409
CHR-SOS-6c45c019-14
0.409
SAM-UNK-2684b532-8
0.407
DAR-DIA-0cde14eb-14
0.407
DAR-DIA-0cde14eb-50
0.407
CHR-SOS-6c45c019-5
0.407
MAT-POS-590ac91e-6
0.405
DAR-DIA-0cde14eb-3
0.405
CHR-SOS-1f323c23-11
0.404
CHR-SOS-1f323c23-7
0.402
CHR-SOS-6c45c019-15
0.402
DAR-DIA-0cde14eb-19
0.402
CHR-SOS-6c45c019-8
0.400
CHR-SOS-6c45c019-10
0.400
ASH-SAT-43770c7d-9
0.400
MAT-POS-590ac91e-9
0.400
CHR-SOS-6c45c019-4
0.398
ALP-POS-95b75b4d-4
0.398
CHR-SOS-1f323c23-4
0.398
CHR-SOS-6c45c019-12
0.398
JAN-GHE-83b26c96-13
0.397
NAU-LAT-3f5f3993-2
0.397
CHR-SOS-1f323c23-8
0.396
CHR-SOS-6c45c019-6
0.395
CHR-SOS-363cfb78-7
0.395
DAR-DIA-0cde14eb-37
0.393
DAR-DIA-0cde14eb-36
0.393
BAR-COM-0f94fc3d-25
0.393
CHR-SOS-1f323c23-5
0.391
CHR-SOS-6c45c019-7
0.391
MAK-UNK-129dcd6f-18
0.391
MAT-POS-590ac91e-26
0.390
CHR-SOS-e960e883-6
0.389
CHR-SOS-1f323c23-1
0.388
CHR-SOS-6c45c019-9
0.388
DAR-DIA-0cde14eb-73
0.388
DAR-DIA-0cde14eb-51
0.386
DAR-DIA-0cde14eb-52
0.386
DAR-DIA-0cde14eb-39
0.385
CHR-SOS-6c45c019-13
0.385
MAK-UNK-129dcd6f-16
0.384
CHR-SOS-1f323c23-2
0.383
MAK-UNK-6ca90168-27
0.382
CHR-SOS-6c45c019-2
0.382
AHN-SAT-202241f6-1
0.382
TRY-UNI-714a760b-17
0.382
SIM-DEM-f31d0e65-1
0.381
MAK-UNK-129dcd6f-12
0.381
DAR-DIA-0cde14eb-64
0.381
CHR-SOS-e960e883-5
0.380
ERI-UCB-5b47150d-1
0.380