Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)Nc1ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)cc1 |
| MW: | 527.17 |
| Fraction sp3: | 0.17 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 6 |
| TPSA: | 103.43 |
| cLogP: | 5.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Nc2cncc3ccccc23)C1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-8293a91a-4
0.796
MAT-POS-8293a91a-5
0.796
MAT-POS-4223bc15-23
0.796
NIR-WEI-dcc3321b-1
0.790
MAT-POS-4223bc15-25
0.774
EDJ-MED-c40d95bc-2
0.755
MAT-POS-4223bc15-21
0.755
JOH-UNI-ededfdb6-1
0.755
MAT-POS-5cd9ea36-15
0.747
MAT-POS-4223bc15-24
0.742
MAT-POS-4223bc15-22
0.742
MAT-POS-5cd9ea36-13
0.737
EDJ-MED-c82a5324-3
0.733
EDJ-MED-c82a5324-2
0.716
NIR-WEI-dcc3321b-3
0.705
EDJ-MED-e9a22d5d-1
0.694
RAL-THA-ee48ba5f-5
0.687
MAT-POS-4223bc15-27
0.687
NIR-WEI-dcc3321b-2
0.684
MAT-POS-61f37a1a-12
0.684
PET-UNK-162c14b2-1
0.684
EDJ-MED-fa7708b3-1
0.676
RAL-THA-ee48ba5f-1
0.676
MAT-POS-4223bc15-26
0.670
MIC-UNK-482af05e-2
0.670
MAT-POS-4223bc15-28
0.667
RAL-THA-ee48ba5f-4
0.663
MAT-UNK-35705829-1
0.660
BEN-DND-f2e727cd-6
0.660
MAT-POS-dd3ad2b5-1
0.660
NIR-WEI-dcc3321b-4
0.658
EDJ-MED-c40d95bc-1
0.657
MIC-UNK-482af05e-1
0.657
RAL-THA-ee48ba5f-2
0.654
MAT-UNK-f490e871-1
0.654
MAT-UNK-04ae9652-1
0.654
EDJ-MED-7889e8da-3
0.647
EDJ-MED-0186a59b-2
0.647
MAT-POS-4223bc15-19
0.646
RAL-THA-6e4c80cf-1
0.646
PET-UNK-9b23ef84-2
0.646
MAT-POS-dd3ad2b5-2
0.646
CLI-TLC-36f34aa2-1
0.642
NIR-WEI-dcc3321b-5
0.640
ALP-POS-6f6ae286-5
0.632
BEN-DND-f06bfa8e-2
0.632
EDJ-MED-0186a59b-1
0.632
EDJ-MED-7889e8da-1
0.632
MAT-POS-24589f88-2
0.630
MAT-POS-24589f88-3
0.630
MAT-POS-dd3ad2b5-4
0.630
MAT-POS-4223bc15-6
0.627
MAT-POS-b4d6b7fc-1
0.627
RAL-THA-ee48ba5f-6
0.626
MAT-POS-4223bc15-20
0.625
RAL-THA-6e4c80cf-2
0.625
EDJ-MED-fa7708b3-3
0.624
PET-UNK-5ba9a1cb-3
0.620
PET-UNK-5ba9a1cb-2
0.620
ALF-EVA-0e90125c-9
0.620
MAT-POS-2e8b2191-10
0.618
MAT-POS-4223bc15-18
0.618
MAT-POS-4223bc15-35
0.615
EDJ-MED-fa7708b3-2
0.615
PET-UNK-5ba9a1cb-1
0.615
MAT-POS-97ec4bd1-3
0.615
MAT-POS-dd3ad2b5-3
0.614
MAT-POS-4223bc15-1
0.612
MAT-POS-4223bc15-17
0.612
MAT-POS-dd3ad2b5-5
0.612
RAL-THA-ee48ba5f-3
0.609
PET-UNK-d61f3ea6-2
0.606
EDJ-MED-12c4873b-3
0.606
MAT-POS-4223bc15-2
0.606
MAT-POS-5cd9ea36-17
0.604
DAR-DIA-d8bd013f-4
0.602
EDJ-MED-c82a5324-1
0.602
MAT-POS-4223bc15-34
0.602
DAR-DIA-d8bd013f-2
0.602
EDJ-MED-0186a59b-3
0.600
EDJ-MED-7889e8da-5
0.600
BRU-THA-d60fe444-1
0.600
DAR-DIA-d8bd013f-3
0.598
DAR-DIA-d8bd013f-1
0.598
MAT-POS-5cd9ea36-24
0.598
MAT-POS-5cd9ea36-14
0.598
MAT-POS-4223bc15-3
0.596
CLI-TLC-3a13eaf2-1
0.594
DAR-DIA-4987d2cd-1
0.593
PET-UNK-af70882d-3
0.593
EDJ-MED-76744c27-5
0.593
PET-UNK-af70882d-4
0.593
EDJ-MED-7f6e5b75-1
0.593
ALF-EVA-0e90125c-4
0.591
EDJ-MED-ede277f6-4
0.589
ALP-POS-1460fd94-1
0.589
MAT-POS-4223bc15-33
0.589
DAR-DIA-4987d2cd-2
0.589
MAT-POS-4223bc15-7
0.589
MAT-POS-4223bc15-5
0.589