Molecular Properties | |
SMILES: | CN(C)C(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 408.14 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.54 |
cLogP: | 4.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
EDG-MED-5d232de5-4
0.788
EDG-MED-5d232de5-3
0.788
ALP-POS-966f8da6-2
0.788
RAL-THA-c11c1343-1
0.788
RAL-THA-4aa06b95-1
0.767
RAL-THA-4aa06b95-3
0.761
RAL-THA-4aa06b95-2
0.742
RAL-THA-4aa06b95-5
0.720
RAL-THA-8416115c-9
0.691
DAR-DIA-0f2f46c9-6
0.689
DAR-DIA-0f2f46c9-4
0.689
DAR-DIA-0f2f46c9-5
0.689
DAR-DIA-0f2f46c9-14
0.688
DAR-DIA-0f2f46c9-13
0.688
EDG-MED-5d232de5-5
0.685
EDG-MED-5d232de5-6
0.685
RAL-THA-8416115c-2
0.685
DAR-DIA-0f2f46c9-12
0.685
MIC-UNK-91acba05-6
0.685
RAL-THA-8416115c-4
0.667
RAL-THA-8416115c-3
0.663
DAR-DIA-0f2f46c9-10
0.659
MAR-UCB-6ab2ec87-7
0.656
DAR-DIA-0f2f46c9-2
0.645
DAR-DIA-0f2f46c9-3
0.645
DAR-DIA-0f2f46c9-1
0.645
RAL-THA-4aa06b95-6
0.645
DAR-DIA-0f2f46c9-9
0.642
DAR-DIA-0f2f46c9-8
0.642
DAR-DIA-0f2f46c9-7
0.642
RAL-THA-8416115c-8
0.642
RAL-THA-4aa06b95-7
0.639
DAR-DIA-0f2f46c9-11
0.638
RAL-THA-8416115c-7
0.632
RAL-THA-8416115c-10
0.629
RAL-THA-8416115c-1
0.622
RAL-THA-8416115c-12
0.612
MAR-UCB-6ab2ec87-6
0.609
ALP-POS-d054b76b-1
0.606
ALP-UNI-b33a865d-1
0.598
ALP-POS-966f8da6-1
0.598
RAL-THA-8416115c-11
0.598
RAL-THA-8416115c-6
0.598
RAL-THA-8416115c-13
0.596
RAL-THA-8416115c-14
0.592
MIC-UNK-45817b9b-2
0.589
RAL-THA-8416115c-5
0.587
MAT-POS-f7918075-1
0.574
MAT-POS-b3e365b9-2
0.574
MAT-POS-b3e365b9-1
0.574
VLA-UCB-1dbca3b4-15
0.574
MAT-POS-4223bc15-18
0.566
EDJ-MED-12c115cc-2
0.565
MAT-POS-bbbbc21a-2
0.565
MAT-POS-f7918075-2
0.565
EDJ-MED-12c115cc-1
0.565
ALF-EVA-5b152d2f-1
0.557
EDJ-MED-92e193ae-1
0.552
EDJ-MED-92e193ae-2
0.552
MIC-UNK-91acba05-5
0.552
ALP-POS-477dc5b7-2
0.552
MAT-POS-78e1d523-1
0.542
MIC-UNK-91acba05-4
0.542
MAT-POS-66a736cf-1
0.542
LUO-POS-868e8996-13
0.542
LUO-POS-868e8996-14
0.542
ALP-POS-477dc5b7-1
0.542
RAL-THA-05e671eb-3
0.542
MIC-UNK-91acba05-3
0.542
ALP-POS-d3acb8cc-3
0.541
ALP-POS-d3acb8cc-2
0.541
ALP-POS-d3acb8cc-4
0.541
EDJ-MED-e4b030d8-3
0.541
ALP-POS-d3acb8cc-1
0.541
MAT-POS-8a69d52e-1
0.541
MAT-POS-8a69d52e-2
0.541
MAT-POS-8a69d52e-3
0.541
EDJ-MED-e4b030d8-2
0.541
MAK-UNK-8be7dca9-10
0.535
EDJ-MED-036ae2e9-2
0.535
ROB-UNI-611831f5-2
0.531
ALP-POS-fe871b40-6
0.531
PET-UNK-c0891748-10
0.531
ADA-UCB-dc2b944c-16
0.531
MAT-POS-2e8b2191-2
0.531
PET-UNK-c0891748-4
0.531
ALP-UNI-c3ef0aba-2
0.526
BEN-DND-f2e727cd-4
0.526
MAT-POS-dd3ad2b5-1
0.525
BEN-DND-f2e727cd-6
0.525
EDJ-MED-2791eece-11
0.524
MAT-POS-4223bc15-2
0.524
ALP-POS-d054b76b-3
0.524
MAR-UCB-6ab2ec87-1
0.521
PET-UNK-c0891748-6
0.515
PET-UNK-c0891748-12
0.515
MAT-POS-2e8b2191-3
0.515
MIC-UNK-91acba05-2
0.515
EDJ-MED-eb111c00-1
0.515
MAT-POS-4223bc15-19
0.515