Molecular Properties | |
SMILES: | COCC(=O)N1CCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc21 |
MW: | 409.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.53 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-477dc5b7-2
RAL-THA-4aa06b95-2
0.807
EDG-MED-5d232de5-3
0.753
EDG-MED-5d232de5-4
0.753
ALP-POS-966f8da6-2
0.753
RAL-THA-c11c1343-1
0.753
RAL-THA-4aa06b95-1
0.733
RAL-THA-4aa06b95-3
0.728
RAL-THA-4aa06b95-4
0.720
RAL-THA-4aa06b95-7
0.698
RAL-THA-8416115c-4
0.674
RAL-THA-8416115c-3
0.670
RAL-THA-8416115c-7
0.656
EDG-MED-5d232de5-5
0.656
RAL-THA-8416115c-2
0.656
MIC-UNK-91acba05-6
0.656
EDG-MED-5d232de5-6
0.656
DAR-DIA-0f2f46c9-12
0.656
RAL-THA-4aa06b95-6
0.653
RAL-THA-8416115c-8
0.649
DAR-DIA-0f2f46c9-4
0.642
DAR-DIA-0f2f46c9-5
0.642
DAR-DIA-0f2f46c9-6
0.642
RAL-THA-8416115c-10
0.636
DAR-DIA-0f2f46c9-3
0.635
DAR-DIA-0f2f46c9-1
0.635
DAR-DIA-0f2f46c9-2
0.635
DAR-DIA-0f2f46c9-10
0.632
RAL-THA-8416115c-9
0.630
MAR-UCB-6ab2ec87-7
0.628
DAR-DIA-0f2f46c9-13
0.626
DAR-DIA-0f2f46c9-14
0.626
DAR-DIA-0f2f46c9-7
0.616
DAR-DIA-0f2f46c9-8
0.616
DAR-DIA-0f2f46c9-9
0.616
RAL-THA-8416115c-1
0.614
DAR-DIA-0f2f46c9-11
0.612
RAL-THA-8416115c-14
0.600
ALP-UNI-b33a865d-1
0.590
RAL-THA-8416115c-11
0.590
ALP-POS-966f8da6-1
0.590
RAL-THA-8416115c-6
0.590
RAL-THA-8416115c-12
0.589
RAL-THA-8416115c-13
0.589
MAR-UCB-6ab2ec87-6
0.583
MIC-UNK-45817b9b-2
0.582
RAL-THA-8416115c-5
0.579
ALP-POS-d054b76b-1
0.566
MAT-POS-78e1d523-1
0.535
EDJ-MED-92e193ae-2
0.530
MIC-UNK-91acba05-5
0.530
EDJ-MED-92e193ae-1
0.530
ALP-POS-477dc5b7-2
0.530
RAL-THA-6e4c80cf-1
0.524
MAT-POS-4223bc15-19
0.524
MAT-POS-b3e365b9-2
0.520
ALP-POS-477dc5b7-1
0.520
MAT-POS-66a736cf-1
0.520
VLA-UCB-1dbca3b4-15
0.520
MIC-UNK-91acba05-4
0.520
LUO-POS-868e8996-13
0.520
LUO-POS-868e8996-14
0.520
MIC-UNK-91acba05-3
0.520
MAT-POS-b3e365b9-1
0.520
MAT-POS-f7918075-1
0.520
DAR-DIA-0587064e-17
0.519
ALP-POS-d054b76b-3
0.519
LAU-MED-88a3970a-14
0.519
LAU-MED-88a3970a-13
0.519
EDJ-MED-e4b030d8-7
0.510
DAR-DIA-6a508060-4
0.510
RAL-THA-05e671eb-19
0.510
MAT-POS-43fe65f4-1
0.510
ALF-EVA-5b152d2f-1
0.505
MAT-POS-4223bc15-28
0.505
EDJ-MED-76744c27-7
0.500
EDJ-MED-76744c27-2
0.500
MAR-UCB-6ab2ec87-1
0.500
EDJ-MED-eb111c00-2
0.500
ALP-POS-a577c8a2-2
0.500
MAT-POS-5369c344-4
0.500
DAR-DIA-0587064e-12
0.500
DAR-DIA-0587064e-16
0.500
PET-UNK-af70882d-4
0.495
RAL-THA-6e4c80cf-2
0.495
MAT-POS-4223bc15-22
0.495
MAT-POS-4223bc15-20
0.495
EDJ-MED-e9a22d5d-1
0.495
LAU-MED-88a3970a-5
0.495
LAU-MED-88a3970a-6
0.495
MAT-POS-24589f88-3
0.495
MAT-POS-dd3ad2b5-4
0.495
MAT-POS-24589f88-2
0.495
EDJ-MED-eb111c00-1
0.495
MIC-UNK-91acba05-2
0.495
EDJ-MED-12c115cc-1
0.495
EDJ-MED-12c115cc-2
0.495
MAT-POS-bbbbc21a-2
0.495
MAT-POS-f7918075-2
0.495
PET-UNK-c7ac4d9e-2
0.491
PET-UNK-c7ac4d9e-1
0.491