Molecular Properties | |
SMILES: | Cc1ccc(Cl)cc1N1CCN(C(=O)c2cncc3ccccc23)CC1=O |
MW: | 379.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-b9827f26-3
0.747
MIC-UNK-b9827f26-4
0.741
MIC-UNK-b9827f26-2
0.663
ERI-UCB-d6de1f3c-2
0.659
MIC-UNK-b9827f26-1
0.621
MIC-UNK-02d7a284-1
0.505
MAT-POS-54c4bf04-3
0.500
VLA-UNK-58704097-1
0.500
ERI-UCB-d6de1f3c-7
0.500
MIC-UNK-02d7a284-2
0.481
MIC-UNK-02d7a284-3
0.462
MAR-UCB-f313ec4d-6
0.460
ERI-UCB-d6de1f3c-6
0.445
ERI-UCB-d6de1f3c-5
0.420
NIR-WEI-acbd6416-1
0.416
MIC-UNK-25b9c114-1
0.405
MIC-UNK-25b9c114-2
0.389
MIC-UNK-c5a20098-1
0.374
ALP-POS-76eab5ce-2
0.368
NIR-WEI-acbd6416-2
0.364
FRA-DIA-a1f3a927-1
0.364
VLA-UNK-f2612802-1
0.358
ERI-UCB-d6de1f3c-1
0.356
BEN-DND-f2e727cd-1
0.352
MAT-POS-e48723dc-1
0.350
LUO-POS-e1dab717-2
0.350
EDJ-MED-976a33d5-1
0.350
MAT-POS-e48723dc-2
0.350
MAT-POS-576f7758-2
0.350
EDJ-MED-cc48ee33-4
0.350
MAT-POS-54c4bf04-2
0.349
MIC-UNK-c5a20098-3
0.349
RAL-THA-2d450e86-27
0.347
MAT-UCL-e2ab2224-1
0.345
VLA-UNK-5d8210f0-4
0.345
EDJ-MED-98c0a822-3
0.344
ALP-POS-c3a90b22-1
0.344
EDJ-MED-976a33d5-3
0.342
PET-UNK-14142a25-3
0.341
LUO-POS-e1dab717-14
0.341
PET-UNK-14142a25-12
0.341
MAT-POS-8695a11f-3
0.340
MAT-POS-d8472c4f-1
0.340
MAT-POS-8695a11f-1
0.340
EDJ-MED-33064c06-13
0.339
EDJ-MED-98c0a822-4
0.339
ALP-POS-c3a90b22-3
0.339
BEN-DND-f2e727cd-2
0.336
JOH-UNI-ea1df7a8-1
0.336
BEN-DND-f2e727cd-3
0.336
JAG-UCB-f37eaa14-2
0.336
DAR-DIA-6be260fc-1
0.336
MAT-POS-566864e2-3
0.336
MAT-POS-566864e2-4
0.336
EDJ-MED-40e596c8-1
0.336
ALP-POS-ecbed2ba-7
0.336
LUO-POS-e1dab717-1
0.336
MAT-POS-576f7758-1
0.336
MAT-POS-69786b79-1
0.336
EDJ-MED-8bb691af-3
0.333
EDJ-MED-8bb691af-4
0.333
EDJ-MED-98c0a822-1
0.333
DAR-DIA-5d6f1b43-19
0.333
LUO-POS-868e8996-11
0.333
MIC-UNK-c5a20098-2
0.333
MAT-POS-c7726e07-5
0.333
PET-UNK-14142a25-9
0.333
EDJ-MED-cc48ee33-5
0.333
PET-UNK-7be94445-2
0.333
LUO-POS-868e8996-12
0.333
MAT-POS-c7726e07-6
0.333
PET-UNK-14142a25-18
0.333
ALP-POS-c3a90b22-2
0.331
ALP-POS-4483ae88-2
0.331
EDJ-MED-cc48ee33-3
0.331
MIC-UNK-d854bf4c-3
0.330
MIC-UNK-d854bf4c-1
0.330
JUL-TUD-06b2044f-74
0.330
ALF-EVA-a24cc7ce-6
0.330
ALP-UNI-dbb9503d-1
0.330
ALP-POS-c3a90b22-9
0.328
EDJ-MED-33064c06-11
0.328
MIK-ENA-1494235a-1
0.328
MIK-ENA-4ed700b1-1
0.328
LUO-POS-e1dab717-13
0.328
VLA-UNK-5d8210f0-5
0.328
MIK-ENA-4a1c9a78-1
0.328
JOH-MSK-4bb3d434-1
0.328
ALP-POS-133e7cd9-1
0.328
LUO-POS-e1dab717-19
0.328
JAG-UCB-f37eaa14-3
0.327
VLA-UCB-1dbca3b4-3
0.327
DAR-DIA-0f7b7cd9-7
0.327
DAR-DIA-6a49afbe-1
0.327
PET-UNK-7e9559de-4
0.325
PET-UNK-7e9559de-1
0.325
MAT-POS-96396902-1
0.325
LUO-POS-ed2cfb03-2
0.325
LUO-POS-f7b1afe6-3
0.325
LUO-POS-e1dab717-11
0.323