Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)N1CCN(c2cc(Cl)ccc2Cl)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: | ✗ |
MIC-UNK-b9827f26-5
0.747
MIC-UNK-b9827f26-4
0.729
MIC-UNK-b9827f26-2
0.671
MIC-UNK-b9827f26-1
0.667
ERI-UCB-d6de1f3c-2
0.667
VLA-UNK-58704097-1
0.505
MAT-POS-54c4bf04-3
0.489
ERI-UCB-d6de1f3c-7
0.474
MIC-UNK-02d7a284-1
0.466
MAR-UCB-f313ec4d-6
0.465
MIC-UNK-02d7a284-2
0.444
ERI-UCB-d6de1f3c-6
0.436
NIR-WEI-acbd6416-1
0.434
MIC-UNK-02d7a284-3
0.426
ERI-UCB-d6de1f3c-5
0.411
MIC-UNK-25b9c114-1
0.409
MIC-UNK-25b9c114-2
0.393
ALP-POS-76eab5ce-2
0.387
MIC-UNK-c5a20098-1
0.378
ERI-UCB-d6de1f3c-1
0.373
BEN-DND-f2e727cd-1
0.369
BEN-DND-f2e727cd-2
0.365
DAR-DIA-6a49afbe-7
0.361
FRA-DIA-a1f3a927-1
0.355
NIR-WEI-acbd6416-2
0.355
JOH-UNI-ea1df7a8-1
0.352
ALF-EVA-a24cc7ce-6
0.346
JUL-TUD-06b2044f-74
0.345
DAR-DIA-6a49afbe-1
0.344
JAG-UCB-f37eaa14-3
0.343
MAT-POS-576f7758-2
0.342
EDJ-MED-976a33d5-1
0.342
MAT-POS-e48723dc-2
0.342
LUO-POS-e1dab717-2
0.342
MAT-POS-e48723dc-1
0.342
BEN-DND-f2e727cd-3
0.340
MAT-POS-54c4bf04-2
0.340
MIC-UNK-c5a20098-3
0.340
JAG-UCB-f37eaa14-2
0.339
DAR-DIA-6be260fc-1
0.339
ALP-POS-ecbed2ba-7
0.339
LUO-POS-e1dab717-1
0.339
MAT-POS-576f7758-1
0.339
MAT-POS-566864e2-3
0.339
MAT-POS-566864e2-4
0.339
MAT-POS-69786b79-1
0.339
PET-UNK-7be94445-2
0.337
MIC-UNK-c5a20098-2
0.337
MAT-POS-a9372f04-1
0.336
MAT-UCL-e2ab2224-1
0.336
ALP-POS-c3a90b22-1
0.336
EDJ-MED-98c0a822-3
0.336
PET-UNK-14142a25-3
0.333
PET-UNK-14142a25-12
0.333
LUO-POS-e1dab717-14
0.333
ALP-POS-c3a90b22-2
0.333
DAR-DIA-6be260fc-5
0.333
JUL-TUD-06b2044f-112
0.333
EDJ-MED-33064c06-13
0.331
ALP-POS-c3a90b22-3
0.331
EDJ-MED-40e596c8-3
0.331
EDJ-MED-98c0a822-4
0.331
LUO-POS-e1dab717-13
0.331
LUO-POS-e1dab717-19
0.330
MAT-POS-d8472c4f-1
0.330
MAT-POS-8695a11f-1
0.330
MAT-POS-8695a11f-3
0.330
VLA-UCB-1dbca3b4-3
0.330
DAR-DIA-0f7b7cd9-7
0.330
VLA-UNK-f2612802-1
0.328
EDJ-MED-40e596c8-1
0.328
LUO-POS-ed2cfb03-2
0.328
EDJ-MED-96f6b92c-1
0.327
MAT-POS-1f3f1a6f-5
0.327
ALP-POS-c3a90b22-6
0.325
LUO-POS-868e8996-12
0.325
MAT-POS-c7726e07-6
0.325
LUO-POS-868e8996-11
0.325
EDJ-MED-8bb691af-4
0.325
MAT-POS-c7726e07-5
0.325
EDJ-MED-8bb691af-3
0.325
EDJ-MED-f9b78f78-4
0.325
ALP-POS-4483ae88-1
0.325
ALP-POS-e0fe77e5-13
0.325
ALP-POS-477dc5b7-4
0.324
DAR-DIA-0f7b7cd9-9
0.324
YVE-CNR-132fc2df-1
0.324
EDJ-MED-159244ea-1
0.324
MAT-POS-983b399a-1
0.324
JUL-TUD-06b2044f-72
0.324
PET-UNK-dd44aeb6-2
0.323
RAL-THA-2d450e86-24
0.323
MAT-POS-e75f6e44-19
0.323
EDJ-MED-cc48ee33-3
0.322
MIC-UNK-d854bf4c-1
0.322
JAG-UCB-f37eaa14-1
0.321
VLA-UNK-70dd90ef-3
0.321
DAR-DIA-6a49afbe-11
0.321
PET-UNK-4dc48bbe-6
0.320
VLA-UCB-1dbca3b4-17
0.320