Molecular Properties | |
SMILES: | O=C(O)CN1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 82.53 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-8
0.845
RAL-THA-8416115c-10
0.826
RAL-THA-8416115c-9
0.816
RAL-THA-8416115c-3
0.788
RAL-THA-4aa06b95-6
0.788
RAL-THA-8416115c-4
0.770
RAL-THA-8416115c-1
0.756
RAL-THA-4aa06b95-7
0.736
ALP-UNI-b33a865d-1
0.723
RAL-THA-8416115c-11
0.723
ALP-POS-966f8da6-1
0.723
RAL-THA-8416115c-6
0.705
RAL-THA-8416115c-13
0.701
RAL-THA-8416115c-14
0.698
RAL-THA-8416115c-5
0.691
RAL-THA-8416115c-12
0.684
MIC-UNK-91acba05-6
0.674
RAL-THA-8416115c-2
0.674
DAR-DIA-0f2f46c9-12
0.674
EDG-MED-5d232de5-5
0.674
EDG-MED-5d232de5-6
0.674
RAL-THA-4aa06b95-2
0.674
DAR-DIA-0f2f46c9-10
0.667
DAR-DIA-0f2f46c9-6
0.659
RAL-THA-c11c1343-1
0.659
ALP-POS-966f8da6-2
0.659
DAR-DIA-0f2f46c9-4
0.659
DAR-DIA-0f2f46c9-5
0.659
EDG-MED-5d232de5-3
0.659
EDG-MED-5d232de5-4
0.659
RAL-THA-4aa06b95-1
0.659
RAL-THA-4aa06b95-5
0.656
DAR-DIA-0f2f46c9-2
0.652
DAR-DIA-0f2f46c9-3
0.652
DAR-DIA-0f2f46c9-1
0.652
DAR-DIA-0f2f46c9-11
0.645
RAL-THA-4aa06b95-3
0.638
DAR-DIA-0f2f46c9-8
0.632
RAL-THA-4aa06b95-4
0.632
DAR-DIA-0f2f46c9-9
0.632
DAR-DIA-0f2f46c9-7
0.632
DAR-DIA-0f2f46c9-14
0.625
DAR-DIA-0f2f46c9-13
0.625
MAR-UCB-6ab2ec87-6
0.598
MAR-UCB-6ab2ec87-7
0.591
MIC-UNK-45817b9b-2
0.579
ALP-POS-d054b76b-1
0.579
MAT-POS-78e1d523-1
0.564
EDJ-MED-92e193ae-1
0.558
MIC-UNK-91acba05-5
0.558
EDJ-MED-92e193ae-2
0.558
ALP-POS-477dc5b7-2
0.558
MAT-POS-4223bc15-21
0.556
EDJ-MED-c40d95bc-2
0.556
VLA-UCB-1dbca3b4-15
0.547
MAT-POS-b3e365b9-2
0.547
ALP-POS-477dc5b7-1
0.547
MIC-UNK-91acba05-4
0.547
MIC-UNK-91acba05-3
0.547
MAT-POS-b3e365b9-1
0.547
MAT-POS-f7918075-1
0.547
LUO-POS-868e8996-14
0.547
MAT-POS-66a736cf-1
0.547
LUO-POS-868e8996-13
0.547
MAT-POS-bbbbc21a-2
0.538
MAT-POS-f7918075-2
0.538
EDJ-MED-12c115cc-1
0.538
EDJ-MED-12c115cc-2
0.538
ALF-EVA-5b152d2f-1
0.531
PET-UNK-f860268d-5
0.530
PET-UNK-f860268d-2
0.530
ALP-POS-d054b76b-3
0.529
BEN-BAS-c2bc0d80-1
0.526
MAR-UCB-6ab2ec87-1
0.526
MAT-POS-61f37a1a-12
0.525
EDJ-MED-eb111c00-3
0.525
PET-UNK-162c14b2-1
0.525
PET-UNK-4d432d33-2
0.525
PET-UNK-4d432d33-6
0.525
RAL-THA-05e671eb-3
0.515
BEN-DND-f2e727cd-4
0.515
ALP-UNI-c3ef0aba-2
0.515
ALP-UNI-ba800595-1
0.515
BEN-DND-f2e727cd-6
0.515
MAT-POS-dd3ad2b5-1
0.515
EDJ-MED-43f8f7d6-4
0.514
PET-UNK-022eab87-1
0.510
MIC-UNK-91acba05-1
0.510
MAT-POS-865c3497-1
0.510
ROB-UNI-322e8f70-3
0.510
MAT-POS-22e8b45a-1
0.510
MAT-POS-865c3497-2
0.510
ALP-POS-a577c8a2-2
0.510
MAK-UNK-8be7dca9-10
0.510
MAT-POS-4223bc15-25
0.510
MAT-POS-a54ce14d-2
0.510
EDJ-MED-015fb6b4-2
0.510
MAT-POS-acfe5bae-2
0.510
MAT-POS-a54ce14d-3
0.510
PET-UNK-c0891748-12
0.505