Molecule Details
| Molecular Properties | |
| SMILES: | NC1(CN2Cc3ccc(Cl)cc3C(C(=O)Nc3cncc4ccccc34)C2)COC1 |
| MW: | 422.15 |
| Fraction sp3: | 0.3 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 80.48 |
| cLogP: | 3.15 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Oxetanes, thietanes
MAT-POS-4223bc15-23
MAT-UNK-f490e871-1
0.796
MAT-UNK-04ae9652-1
0.740
MAT-POS-4223bc15-25
0.739
MAT-POS-8293a91a-5
0.723
MAT-POS-8293a91a-4
0.723
MAT-POS-4223bc15-27
0.723
RAL-THA-ee48ba5f-5
0.723
MAT-POS-4223bc15-23
0.723
MAT-POS-61f37a1a-12
0.720
PET-UNK-162c14b2-1
0.720
MAT-POS-4223bc15-21
0.720
EDJ-MED-c40d95bc-2
0.720
RAL-THA-ee48ba5f-4
0.716
EDJ-MED-e9a22d5d-1
0.713
RAL-THA-ee48ba5f-1
0.711
EDJ-MED-fa7708b3-1
0.711
MAT-POS-4223bc15-24
0.708
MAT-POS-4223bc15-22
0.708
MAT-POS-4223bc15-26
0.705
MIC-UNK-482af05e-2
0.705
MAT-POS-4223bc15-28
0.701
EDJ-MED-c82a5324-3
0.700
MAT-POS-5cd9ea36-15
0.697
MIC-UNK-482af05e-1
0.691
JOH-UNI-ededfdb6-1
0.687
RAL-THA-ee48ba5f-2
0.687
EDJ-MED-c82a5324-2
0.683
BEN-DND-f2e727cd-6
0.677
MAT-POS-dd3ad2b5-1
0.677
CLI-TLC-36f34aa2-1
0.673
MAT-POS-5cd9ea36-13
0.670
ALF-EVA-0e90125c-9
0.667
MAT-POS-24589f88-2
0.663
MAT-POS-dd3ad2b5-4
0.663
MAT-POS-dd3ad2b5-3
0.663
PET-UNK-9b23ef84-2
0.663
MAT-POS-4223bc15-19
0.663
MAT-POS-dd3ad2b5-2
0.663
MAT-POS-24589f88-3
0.663
RAL-THA-6e4c80cf-1
0.663
NIR-WEI-dcc3321b-6
0.660
EDJ-MED-fa7708b3-2
0.660
MAT-POS-dd3ad2b5-5
0.660
MAT-POS-4223bc15-6
0.660
EDJ-MED-c40d95bc-1
0.657
RAL-THA-ee48ba5f-6
0.657
MAT-POS-4223bc15-20
0.657
RAL-THA-6e4c80cf-2
0.657
EDJ-MED-fa7708b3-3
0.654
PET-UNK-d61f3ea6-2
0.653
PET-UNK-5ba9a1cb-2
0.650
PET-UNK-5ba9a1cb-3
0.650
MAT-POS-4223bc15-18
0.649
MAT-POS-4223bc15-35
0.646
PET-UNK-5ba9a1cb-1
0.644
MAT-POS-4223bc15-1
0.643
RAL-THA-ee48ba5f-3
0.638
PET-UNK-af70882d-3
0.637
MAT-POS-4223bc15-2
0.636
EDJ-MED-12c4873b-3
0.636
MAT-POS-4223bc15-33
0.634
MAT-POS-5cd9ea36-17
0.634
MAT-POS-4223bc15-7
0.634
JOH-SUS-07b743f6-3
0.632
BRU-THA-d60fe444-1
0.630
XIA-UNK-50bd045a-1
0.629
EDJ-MED-12c4873b-1
0.627
MAT-POS-5cd9ea36-24
0.627
MAT-POS-4223bc15-17
0.626
MAT-POS-4223bc15-3
0.626
EDJ-MED-1981ceba-1
0.625
NIR-WEI-dcc3321b-5
0.625
BEN-DND-32596b04-8
0.625
MAT-POS-4223bc15-37
0.625
CLI-TLC-3a13eaf2-1
0.624
EDJ-MED-1981ceba-2
0.624
MAT-POS-4223bc15-31
0.623
EDJ-MED-7f6e5b75-1
0.621
EDJ-MED-76744c27-5
0.621
MAT-POS-5cd9ea36-20
0.621
DAR-DIA-4987d2cd-1
0.621
PET-UNK-af70882d-4
0.621
MAT-POS-5cd9ea36-10
0.619
MAT-POS-dd1fff26-1
0.619
MAT-POS-dd1fff26-2
0.619
ALF-EVA-0e90125c-4
0.619
BEN-DND-32596b04-5
0.619
MAT-POS-4223bc15-5
0.618
EDJ-MED-c82a5324-1
0.615
PET-UNK-615ad708-5
0.615
MAT-POS-5cd9ea36-16
0.615
DAR-DIA-d8bd013f-7
0.615
MAT-POS-4223bc15-34
0.615
DAR-DIA-d8bd013f-2
0.615
DAR-DIA-d8bd013f-8
0.615
ALF-EVA-07677224-3
0.615
PET-UNK-af70882d-2
0.615
PET-UNK-d61f3ea6-3
0.615
DAR-DIA-d8bd013f-4
0.615
PET-UNK-ff046148-1
0.615