Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)N1CCN(c2ccc(Cl)c(Cl)c2)C(=O)C1 |
MW: | 399.05 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 4.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-d6de1f3c-2
0.744
MIC-UNK-b9827f26-2
0.727
MIC-UNK-b9827f26-3
0.667
MIC-UNK-b9827f26-5
0.621
MIC-UNK-b9827f26-4
0.607
VLA-UNK-58704097-1
0.478
MAT-POS-54c4bf04-3
0.477
MAR-UCB-f313ec4d-6
0.470
ERI-UCB-d6de1f3c-7
0.463
MIC-UNK-02d7a284-1
0.441
ERI-UCB-d6de1f3c-6
0.426
MIC-UNK-02d7a284-2
0.421
MIC-UNK-02d7a284-3
0.415
MIC-UNK-25b9c114-1
0.411
MIC-UNK-25b9c114-2
0.407
ERI-UCB-d6de1f3c-1
0.402
ERI-UCB-d6de1f3c-5
0.400
ALP-POS-76eab5ce-2
0.374
MIC-UNK-c5a20098-1
0.365
NIR-WEI-acbd6416-1
0.353
DAR-DIA-6a49afbe-9
0.348
MIC-UNK-d854bf4c-2
0.339
MAT-POS-23a8a11a-1
0.333
DAR-DIA-6a49afbe-1
0.330
MIC-UNK-d854bf4c-4
0.327
MAT-POS-fce787c2-4
0.326
MAT-POS-de59a476-1
0.326
MIC-UNK-c5a20098-2
0.324
PET-UNK-7be94445-2
0.323
ALP-POS-afe0272e-1
0.322
PET-UNK-b870596d-2
0.320
NIR-WEI-acbd6416-2
0.318
FRA-DIA-a1f3a927-1
0.318
ALP-UNI-3735e77e-1
0.317
MAT-POS-e69ad64a-3
0.317
ALP-POS-e0fe77e5-1
0.317
VLA-UCB-1dbca3b4-3
0.316
MAT-POS-54c4bf04-2
0.314
MIC-UNK-c5a20098-3
0.314
PET-UNK-b870596d-1
0.313
MAT-POS-1f3f1a6f-5
0.313
ALP-POS-afe0272e-2
0.313
JUL-TUD-06b2044f-72
0.311
UNK-UNK-2ede4078-92
0.310
JAG-UCB-f37eaa14-1
0.309
JUL-TUD-06b2044f-74
0.309
ALF-EVA-a24cc7ce-6
0.308
MAT-POS-576f7758-2
0.308
EDJ-MED-976a33d5-1
0.308
LUO-POS-e1dab717-2
0.308
MAT-POS-e48723dc-1
0.308
MAT-POS-e48723dc-2
0.308
MAT-POS-fce787c2-11
0.306
DAR-DIA-6a49afbe-7
0.306
RAL-THA-2d450e86-8
0.306
MAT-POS-e9e99895-1
0.306
MAT-POS-fce787c2-7
0.306
JAG-UCB-f37eaa14-3
0.306
EDJ-MED-40e596c8-1
0.305
MIC-UNK-a28eba03-2
0.304
VLA-UCB-1dbca3b4-13
0.304
MAT-POS-d8472c4f-1
0.304
MAT-POS-8695a11f-1
0.304
MAT-POS-8695a11f-3
0.304
ALP-POS-c3a90b22-1
0.303
EDJ-MED-98c0a822-3
0.303
PET-UNK-7be94445-1
0.303
DAR-DIA-0f7b7cd9-7
0.303
VLA-UNK-5d8210f0-1
0.303
EDJ-MED-8bb691af-3
0.302
MIC-UNK-d854bf4c-6
0.301
MIC-UNK-d854bf4c-8
0.301
LUO-POS-e1dab717-14
0.301
PET-UNK-14142a25-12
0.301
PET-UNK-14142a25-3
0.301
ALP-POS-c3a90b22-2
0.300
VLA-UNK-5d8210f0-2
0.300
MAT-POS-1f3f1a6f-2
0.300
ALP-POS-e0fe77e5-10
0.300
MAK-UNK-6ca90168-1
0.300
LON-WEI-9739a092-6
0.299
JUL-TUD-06b2044f-54
0.299
MAT-POS-1f3f1a6f-1
0.299
MAT-POS-fce787c2-3
0.299
MAT-POS-fce787c2-6
0.299
EDJ-MED-98c0a822-4
0.298
ALP-POS-c3a90b22-3
0.298
EDJ-MED-40e596c8-3
0.298
EDJ-MED-33064c06-13
0.298
MIC-UNK-d854bf4c-1
0.298
EDJ-MED-cc48ee33-4
0.298
VLA-UNK-3a43cd95-4
0.297
MAT-POS-91829f0d-1
0.297
MAR-UCB-f313ec4d-2
0.297
MAT-POS-de59a476-3
0.297
VLA-UNK-9a7dc93f-3
0.296
LUO-POS-e1dab717-19
0.296
JUL-TUD-06b2044f-112
0.295
MIC-UNK-0a05c952-3
0.295
ALP-POS-ecbed2ba-19
0.295