Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1 |
MW: | 300.1 |
Fraction sp3: | 0.29 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-0cde14eb-1
0.735
DAR-DIA-0cde14eb-2
0.725
DAR-DIA-0cde14eb-4
0.714
DAR-DIA-0cde14eb-14
0.685
ALP-POS-95b75b4d-4
0.639
JAN-GHE-83b26c96-13
0.632
TRY-UNI-714a760b-6
0.632
EDJ-MED-e58735b6-2
0.609
ALP-POS-95b75b4d-2
0.609
EDJ-MED-e58735b6-1
0.606
JAN-GHE-83b26c96-12
0.600
ALP-POS-95b75b4d-1
0.600
DAR-DIA-0cde14eb-78
0.581
DAR-DIA-0cde14eb-76
0.575
ALP-POS-95b75b4d-3
0.575
ANN-UNI-98d2bf15-2
0.575
JAN-GHE-83b26c96-14
0.575
DAR-DIA-0cde14eb-32
0.568
TRY-UNI-714a760b-20
0.568
DAR-DIA-0cde14eb-47
0.562
DAR-DIA-0cde14eb-79
0.560
EDJ-MED-e58735b6-3
0.560
DAR-DIA-0cde14eb-6
0.553
ANN-UNI-98d2bf15-5
0.553
TRY-UNI-714a760b-5
0.544
DAR-DIA-0cde14eb-17
0.541
DAR-DIA-0cde14eb-77
0.538
SAD-SAT-7d5528d9-1
0.531
DAR-DIA-0cde14eb-11
0.525
EDJ-MED-e58735b6-4
0.525
RAL-THA-901e9a10-7
0.524
BRU-LEF-c49414a7-1
0.524
EDG-MED-0da5ad92-8
0.507
TRY-UNI-2eddb1ff-2
0.507
DAR-DIA-0cde14eb-62
0.506
JAN-GHE-83b26c96-11
0.500
ALP-POS-f13221e1-4
0.494
VLA-UCB-00f2c2b3-1
0.481
RAL-THA-6b94ceba-6
0.481
MAT-POS-c9973a83-1
0.481
MIH-UNI-6b9ca91a-1
0.479
DAR-DIA-0cde14eb-61
0.475
DAR-DIA-0cde14eb-64
0.475
MAT-POS-590ac91e-6
0.472
DAR-DIA-0cde14eb-16
0.471
MAK-UNK-6ca90168-26
0.470
VLA-UCB-00f2c2b3-2
0.469
RAL-THA-6b94ceba-7
0.469
DAR-DIA-0cde14eb-63
0.469
BEN-DND-93268d01-6
0.468
DAR-DIA-23e5a6a0-29
0.466
DAR-DIA-23e5a6a0-30
0.461
GAB-REV-70cc3ca5-20
0.461
EDG-MED-0da5ad92-6
0.461
MAT-POS-e501d84c-1
0.459
WIL-MOD-03b86a88-3
0.458
WAR-XCH-e55cba98-11
0.458
GAB-REV-70cc3ca5-18
0.458
TRY-UNI-2eddb1ff-1
0.456
DAR-DIA-0cde14eb-18
0.456
DAR-DIA-0cde14eb-19
0.456
DAR-DIA-23e5a6a0-23
0.456
EDJ-MED-c9f55a56-1
0.453
MAT-POS-590ac91e-24
0.453
NAU-LAT-0543f7f2-7
0.452
DAR-DIA-0cde14eb-74
0.452
RAL-THA-6b94ceba-13
0.451
ALE-HEI-f28a35b5-12
0.451
DAR-DIA-23e5a6a0-24
0.451
EDG-MED-0da5ad92-11
0.450
JAN-GHE-83b26c96-20
0.450
RAL-THA-901e9a10-8
0.449
MAT-POS-590ac91e-15
0.447
JOH-UNI-abfda500-6
0.447
ANN-UNI-98d2bf15-1
0.447
NAU-LAT-0543f7f2-6
0.447
WIL-MOD-03b86a88-2
0.447
MAT-POS-590ac91e-9
0.446
RAL-THA-6b94ceba-15
0.446
RAL-THA-6b94ceba-5
0.446
MAT-POS-f42f3716-5
0.446
MAT-POS-044491d2-2
0.444
WIL-MOD-03b86a88-4
0.443
DAR-DIA-23e5a6a0-28
0.442
BAR-COM-0f94fc3d-28
0.442
DAR-DIA-0cde14eb-29
0.441
RAL-THA-6b94ceba-16
0.440
WIL-MOD-03b86a88-5
0.440
RAL-THA-6b94ceba-12
0.440
RAL-THA-6b94ceba-14
0.440
ALE-HEI-f28a35b5-3
0.440
DAR-DIA-23e5a6a0-25
0.440
MAT-POS-044491d2-6
0.440
MAT-POS-f42f3716-1
0.440
DAR-DIA-23e5a6a0-22
0.436
DAR-DIA-23e5a6a0-21
0.436
BEN-DND-93268d01-4
0.436
WIL-MOD-03b86a88-6
0.435
RAL-THA-6b94ceba-8
0.435
MAT-POS-590ac91e-10
0.434