Molecule Details
| Molecular Properties | |
| SMILES: | O=C(CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1)NC12CC3CC(CC(O)(C3)C1)C2 |
| MW: | 544.22 |
| Fraction sp3: | 0.45 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 94.56 |
| cLogP: | 4.63 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
adamantyl
Nc2cncc3ccccc23)C1](/static/images/loading.7a8cbb7079d7.gif)
MAT-POS-8293a91a-4
0.695
MAT-POS-8293a91a-5
0.695
MAT-POS-4223bc15-23
0.695
MAT-POS-4223bc15-21
0.676
EDJ-MED-c40d95bc-2
0.676
MAT-POS-4223bc15-25
0.676
JOH-UNI-ededfdb6-1
0.664
MAT-POS-5cd9ea36-13
0.664
EDJ-MED-c82a5324-2
0.661
MAT-POS-5cd9ea36-15
0.658
MAT-POS-4223bc15-24
0.651
MAT-POS-4223bc15-22
0.651
EDJ-MED-c82a5324-3
0.646
NIR-WEI-dcc3321b-6
0.640
EDJ-MED-c40d95bc-1
0.638
MAT-UNK-35705829-1
0.625
EDJ-MED-e9a22d5d-1
0.624
MAT-UNK-f490e871-1
0.619
RAL-THA-ee48ba5f-5
0.618
MAT-POS-61f37a1a-12
0.615
PET-UNK-162c14b2-1
0.615
RAL-THA-ee48ba5f-4
0.613
MIC-UNK-482af05e-1
0.607
RAL-THA-ee48ba5f-2
0.605
MAT-POS-4223bc15-26
0.604
MIC-UNK-482af05e-2
0.604
MAT-POS-4223bc15-27
0.604
MAT-POS-4223bc15-28
0.602
EDJ-MED-fa7708b3-1
0.596
RAL-THA-ee48ba5f-1
0.596
MAT-UNK-04ae9652-1
0.591
NIR-WEI-dcc3321b-2
0.586
EDJ-MED-7889e8da-3
0.584
EDJ-MED-0186a59b-2
0.584
RAL-THA-ee48ba5f-6
0.581
NIR-WEI-dcc3321b-1
0.579
NIR-WEI-dcc3321b-3
0.578
PET-UNK-5ba9a1cb-2
0.576
NIR-WEI-dcc3321b-4
0.575
ALP-POS-6f6ae286-5
0.573
BEN-DND-f06bfa8e-2
0.573
EDJ-MED-0186a59b-1
0.573
EDJ-MED-7889e8da-1
0.573
CLI-TLC-36f34aa2-1
0.568
MAT-POS-4223bc15-19
0.568
RAL-THA-6e4c80cf-1
0.568
EDJ-MED-fa7708b3-3
0.567
RAL-THA-ee48ba5f-3
0.567
MAT-POS-dd3ad2b5-1
0.564
BEN-DND-f2e727cd-6
0.564
ALF-EVA-0e90125c-9
0.563
PET-UNK-5ba9a1cb-3
0.563
ALP-POS-1460fd94-1
0.562
PET-UNK-5ba9a1cb-1
0.558
EDJ-MED-fa7708b3-2
0.558
MAT-POS-b4d6b7fc-1
0.557
MAT-POS-dd3ad2b5-3
0.554
MAT-POS-dd3ad2b5-4
0.554
PET-UNK-9b23ef84-2
0.554
MAT-POS-24589f88-2
0.554
MAT-POS-dd3ad2b5-2
0.554
MAT-POS-24589f88-3
0.554
MAT-POS-dd3ad2b5-5
0.553
MAT-POS-4223bc15-3
0.553
MAT-POS-4223bc15-6
0.553
RAL-THA-6e4c80cf-2
0.552
MAT-POS-4223bc15-20
0.552
PET-UNK-94036022-1
0.545
PET-UNK-94036022-8
0.545
XIA-UNK-284f966f-1
0.545
EDJ-MED-7889e8da-5
0.545
MAT-POS-e194df51-1
0.545
MAT-POS-e194df51-2
0.545
MAT-POS-dc2604c4-1
0.545
EDJ-MED-0186a59b-3
0.545
EDJ-MED-4f4dd660-3
0.544
MAT-POS-4223bc15-18
0.544
BRU-THA-d60fe444-1
0.543
MAT-POS-4223bc15-35
0.543
MAT-POS-4223bc15-13
0.543
EDJ-MED-12c4873b-1
0.542
MAT-POS-5cd9ea36-24
0.542
BEN-DND-32596b04-8
0.542
VLA-UNK-5b0345c3-2
0.541
EDJ-MED-ede277f6-7
0.541
EDJ-MED-4f4dd660-1
0.540
MAT-POS-4223bc15-1
0.539
MAT-POS-4223bc15-17
0.539
PET-UNK-af70882d-3
0.538
MAT-POS-5cd9ea36-11
0.537
MAT-POS-4223bc15-8
0.537
JOH-SUS-07b743f6-3
0.537
EDJ-MED-ede277f6-4
0.537
MAT-POS-4223bc15-2
0.534
EDJ-MED-12c4873b-3
0.534
PET-UNK-d61f3ea6-2
0.534
MAT-POS-4223bc15-33
0.534
MAT-POS-5cd9ea36-17
0.534
MAT-POS-4223bc15-7
0.534
MAT-POS-4223bc15-5
0.534