Molecular Properties | |
SMILES: | NC(=O)CN1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 394.12 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 88.32 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
RAL-THA-8416115c-7
0.845
RAL-THA-8416115c-10
0.816
RAL-THA-8416115c-9
0.807
RAL-THA-8416115c-3
0.779
RAL-THA-4aa06b95-6
0.779
RAL-THA-8416115c-4
0.761
RAL-THA-4aa06b95-7
0.728
RAL-THA-8416115c-1
0.728
RAL-THA-4aa06b95-1
0.708
RAL-THA-4aa06b95-2
0.703
ALP-UNI-b33a865d-1
0.698
RAL-THA-8416115c-11
0.698
ALP-POS-966f8da6-1
0.698
RAL-THA-8416115c-6
0.698
RAL-THA-8416115c-12
0.694
RAL-THA-8416115c-13
0.694
RAL-THA-8416115c-14
0.691
RAL-THA-8416115c-2
0.685
MIC-UNK-91acba05-6
0.685
EDG-MED-5d232de5-6
0.685
EDG-MED-5d232de5-5
0.685
RAL-THA-8416115c-5
0.684
ALP-POS-966f8da6-2
0.670
RAL-THA-c11c1343-1
0.670
EDG-MED-5d232de5-3
0.670
EDG-MED-5d232de5-4
0.670
DAR-DIA-0f2f46c9-12
0.667
DAR-DIA-0f2f46c9-3
0.663
DAR-DIA-0f2f46c9-1
0.663
DAR-DIA-0f2f46c9-2
0.663
DAR-DIA-0f2f46c9-10
0.659
DAR-DIA-0f2f46c9-11
0.656
DAR-DIA-0f2f46c9-4
0.652
DAR-DIA-0f2f46c9-5
0.652
DAR-DIA-0f2f46c9-6
0.652
RAL-THA-4aa06b95-5
0.649
RAL-THA-4aa06b95-3
0.649
RAL-THA-4aa06b95-4
0.642
DAR-DIA-0f2f46c9-7
0.625
DAR-DIA-0f2f46c9-8
0.625
DAR-DIA-0f2f46c9-9
0.625
MAR-UCB-6ab2ec87-7
0.620
DAR-DIA-0f2f46c9-14
0.619
DAR-DIA-0f2f46c9-13
0.619
MAR-UCB-6ab2ec87-6
0.609
PET-UNK-f860268d-2
0.604
PET-UNK-f860268d-5
0.604
ALP-POS-d054b76b-1
0.589
MIC-UNK-45817b9b-2
0.573
MAT-POS-4223bc15-25
0.566
MAT-POS-78e1d523-1
0.558
EDJ-MED-92e193ae-2
0.552
MIC-UNK-91acba05-5
0.552
EDJ-MED-92e193ae-1
0.552
ALP-POS-477dc5b7-2
0.552
MAT-POS-b3e365b9-2
0.542
ALP-POS-477dc5b7-1
0.542
LUO-POS-868e8996-14
0.542
MAT-POS-66a736cf-1
0.542
LUO-POS-868e8996-13
0.542
MAT-POS-f7918075-1
0.542
MAT-POS-b3e365b9-1
0.542
VLA-UCB-1dbca3b4-15
0.542
MIC-UNK-91acba05-4
0.542
MIC-UNK-91acba05-3
0.542
ALP-POS-d054b76b-3
0.538
EDJ-MED-eb111c00-3
0.535
MAT-POS-61f37a1a-12
0.535
PET-UNK-4d432d33-2
0.535
PET-UNK-162c14b2-1
0.535
PET-UNK-4d432d33-6
0.535
MAT-POS-f7918075-2
0.532
EDJ-MED-12c115cc-1
0.532
EDJ-MED-12c115cc-2
0.532
MAT-POS-bbbbc21a-2
0.532
MAT-POS-dd3ad2b5-3
0.530
MAT-POS-dd3ad2b5-1
0.525
BEN-DND-f2e727cd-6
0.525
ALF-EVA-5b152d2f-1
0.525
PET-UNK-c7ac4d9e-2
0.524
PET-UNK-c7ac4d9e-1
0.524
MAT-POS-5cd9ea36-15
0.523
EDJ-MED-43f8f7d6-4
0.523
BEN-BAS-c2bc0d80-1
0.521
MAR-UCB-6ab2ec87-1
0.521
ALP-POS-a577c8a2-2
0.520
MAT-POS-4223bc15-21
0.520
EDJ-MED-c40d95bc-2
0.520
EDJ-MED-eb111c00-4
0.519
MAT-POS-a54ce14d-3
0.519
MAT-POS-a54ce14d-2
0.519
MAT-POS-acfe5bae-2
0.519
EDJ-MED-015fb6b4-2
0.519
EDJ-MED-eb111c00-1
0.515
MIC-UNK-91acba05-2
0.515
ALP-POS-fe871b40-2
0.515
PET-UNK-4d432d33-5
0.515
EDJ-MED-e9a22d5d-1
0.515
PET-UNK-4d432d33-1
0.515
PET-UNK-5ad1c31a-7
0.514