Molecule Details
| Molecular Properties | |
| SMILES: | CNC1(CN2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)COC1 |
| MW: | 436.17 |
| Fraction sp3: | 0.33 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 66.49 |
| cLogP: | 3.41 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Oxetanes, thietanes
MAT-POS-4223bc15-23
MAT-UNK-04ae9652-1
0.846
MAT-UNK-35705829-1
0.796
MAT-POS-8293a91a-5
0.734
RAL-THA-ee48ba5f-5
0.734
MAT-POS-8293a91a-4
0.734
MAT-POS-4223bc15-23
0.734
RAL-THA-ee48ba5f-1
0.722
EDJ-MED-fa7708b3-1
0.722
MAT-POS-4223bc15-27
0.716
MAT-POS-4223bc15-25
0.713
MAT-POS-61f37a1a-12
0.713
EDJ-MED-c40d95bc-2
0.713
PET-UNK-162c14b2-1
0.713
MAT-POS-4223bc15-21
0.713
RAL-THA-ee48ba5f-4
0.708
EDJ-MED-e9a22d5d-1
0.705
MAT-POS-4223bc15-22
0.701
MAT-POS-4223bc15-24
0.701
MIC-UNK-482af05e-2
0.698
MAT-POS-4223bc15-26
0.698
RAL-THA-ee48ba5f-2
0.697
MAT-POS-4223bc15-28
0.694
EDJ-MED-c82a5324-2
0.693
MIC-UNK-482af05e-1
0.684
CLI-TLC-36f34aa2-1
0.683
JOH-UNI-ededfdb6-1
0.680
MAT-POS-5cd9ea36-15
0.673
BEN-DND-f2e727cd-6
0.670
MAT-POS-dd3ad2b5-1
0.670
MAT-POS-dd3ad2b5-5
0.670
RAL-THA-ee48ba5f-6
0.667
EDJ-MED-fa7708b3-3
0.663
MAT-POS-5cd9ea36-13
0.663
ALF-EVA-0e90125c-9
0.660
EDJ-MED-c82a5324-3
0.660
MAT-POS-24589f88-3
0.656
MAT-POS-4223bc15-19
0.656
MAT-POS-dd3ad2b5-2
0.656
MAT-POS-dd3ad2b5-4
0.656
RAL-THA-6e4c80cf-1
0.656
PET-UNK-9b23ef84-2
0.656
MAT-POS-24589f88-2
0.656
EDJ-MED-fa7708b3-2
0.654
NIR-WEI-dcc3321b-6
0.654
MAT-POS-4223bc15-6
0.653
MAT-POS-4223bc15-1
0.653
RAL-THA-ee48ba5f-3
0.648
EDJ-MED-12c4873b-3
0.646
PET-UNK-d61f3ea6-2
0.646
PET-UNK-5ba9a1cb-3
0.644
PET-UNK-5ba9a1cb-2
0.644
MAT-POS-4223bc15-7
0.644
MAT-POS-4223bc15-18
0.643
MAT-POS-dd3ad2b5-3
0.639
PET-UNK-5ba9a1cb-1
0.638
EDJ-MED-12c4873b-1
0.637
MAT-POS-4223bc15-29
0.637
EDJ-MED-c40d95bc-1
0.636
MAT-POS-4223bc15-20
0.634
RAL-THA-6e4c80cf-2
0.634
CLI-TLC-3a13eaf2-1
0.634
MAT-POS-4223bc15-2
0.630
MAT-POS-5cd9ea36-17
0.627
MAT-POS-4223bc15-33
0.627
JOH-SUS-07b743f6-3
0.626
DAR-DIA-d8bd013f-2
0.625
DAR-DIA-d8bd013f-4
0.625
EDJ-MED-c82a5324-1
0.625
BRU-THA-98e973b9-1
0.624
BRU-THA-d60fe444-1
0.624
MAT-POS-4223bc15-35
0.624
DAR-DIA-d8bd013f-3
0.621
MAT-POS-5cd9ea36-14
0.621
DAR-DIA-d8bd013f-1
0.621
MAT-POS-4223bc15-17
0.620
MAT-POS-4223bc15-3
0.620
NIR-WEI-dcc3321b-5
0.619
MAT-POS-4223bc15-37
0.619
ANN-CHE-e1757302-4
0.617
PET-UNK-af70882d-4
0.615
EDJ-MED-7f6e5b75-1
0.615
PET-UNK-af70882d-3
0.615
EDJ-MED-76744c27-5
0.615
MAT-POS-dd1fff26-1
0.613
MAT-POS-dd1fff26-2
0.613
ANN-CHE-e1757302-2
0.613
MAT-POS-5cd9ea36-10
0.613
MAT-POS-4223bc15-5
0.612
DAR-DIA-d8bd013f-7
0.610
PET-UNK-af70882d-2
0.610
PET-UNK-615ad708-5
0.610
PET-UNK-ff046148-1
0.610
PET-UNK-615ad708-2
0.610
MAT-POS-5cd9ea36-16
0.610
DAR-DIA-d8bd013f-8
0.610
MAT-POS-4223bc15-34
0.610
PET-UNK-d61f3ea6-3
0.610
EDJ-MED-7889e8da-3
0.608
EDJ-MED-0186a59b-2
0.608
MAT-POS-4223bc15-13
0.608