Molecular Properties | |
SMILES: | O=C(c1cncc2ccccc12)N1CCOc2ccc(Cl)cc2C1 |
MW: | 338.08 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 42.43 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-b9827f26-2
0.511
ERI-UCB-d6de1f3c-2
0.511
MIC-UNK-b9827f26-3
0.505
MIC-UNK-b9827f26-5
0.500
NIR-WEI-acbd6416-1
0.500
MAT-POS-54c4bf04-3
0.494
MIC-UNK-b9827f26-4
0.490
MIC-UNK-b9827f26-1
0.478
ERI-UCB-d6de1f3c-7
0.463
MAR-UCB-f313ec4d-6
0.452
ALF-EVA-a24cc7ce-6
0.443
MIC-UNK-02d7a284-1
0.441
FRA-DIA-a1f3a927-1
0.439
NIR-WEI-acbd6416-2
0.439
MIC-UNK-02d7a284-2
0.434
BEN-DND-f2e727cd-1
0.427
JOH-UNI-ea1df7a8-1
0.423
MIC-UNK-02d7a284-3
0.415
ERI-UCB-d6de1f3c-6
0.413
EDJ-MED-e4b030d8-13
0.404
BEN-DND-a7517465-4
0.404
MAT-POS-8e4737f4-1
0.404
DAR-DIA-6a508060-10
0.404
EDJ-MED-159244ea-1
0.402
MAT-POS-983b399a-1
0.402
ALP-POS-477dc5b7-4
0.402
ERI-UCB-d6de1f3c-5
0.400
EDJ-MED-e4b030d8-12
0.394
MAT-POS-8e4737f4-2
0.394
MIC-UNK-c5a20098-1
0.394
EDG-MED-971238d3-1
0.390
MAT-POS-2905de8c-3
0.390
MAT-POS-9db1e783-1
0.390
CHO-MSK-5891c1ff-10
0.389
PET-UNK-824b5c6a-1
0.387
EDJ-MED-159244ea-2
0.382
PET-UNK-407a74a5-5
0.382
JAG-UCB-f37eaa14-3
0.382
MAT-POS-983b399a-2
0.382
EDG-MED-4c68219f-6
0.380
EDG-MED-4c68219f-12
0.380
RAL-THA-58fba2bc-2
0.380
PET-UNK-824b5c6a-2
0.376
PET-UNK-29afea89-2
0.375
EDJ-MED-d08626de-2
0.375
EDG-MED-0e5afe9d-3
0.375
EDJ-MED-d08626de-1
0.375
DAR-DIA-0f7b7cd9-9
0.375
PET-UNK-49566573-2
0.374
DAR-DIA-ecdbc7dd-13
0.374
MAT-POS-e20a5dfb-1
0.374
MAT-POS-e20a5dfb-2
0.374
ALP-POS-e0fe77e5-7
0.374
ALP-POS-477dc5b7-5
0.374
ALP-POS-76eab5ce-2
0.374
MIC-UNK-6e9f8a43-2
0.371
PET-UNK-29afea89-1
0.371
EDG-MED-971238d3-4
0.369
EDG-MED-971238d3-11
0.369
MAT-POS-3b97339c-2
0.369
MAT-POS-2905de8c-2
0.369
MAT-POS-2905de8c-1
0.369
CHO-MSK-5891c1ff-3
0.368
DAR-DIA-5ff57136-15
0.367
DAR-DIA-ecdbc7dd-4
0.367
EDJ-MED-f893e2a1-8
0.367
RAL-THA-58fba2bc-4
0.367
MIC-UNK-ddc6ad53-1
0.367
EDG-MED-4c68219f-10
0.367
ED_-GRI-5b13fbe2-72
0.367
PET-UNK-0cc03aae-5
0.366
MAT-POS-983b399a-3
0.365
EDG-MED-90036822-86
0.365
EDJ-MED-159244ea-3
0.365
PET-UNK-bcc8fd08-1
0.364
DAR-DIA-e7614d05-1
0.364
EDG-MED-971238d3-6
0.364
DAR-DIA-e7614d05-2
0.364
ALP-POS-93b3621f-1
0.364
DAR-DIA-e7614d05-3
0.364
EDG-MED-4c68219f-18
0.364
PET-UNK-3bb57da2-3
0.364
ED_-GRI-5b13fbe2-30
0.363
PET-UNK-0cc03aae-1
0.363
MIC-UNK-5d22d78d-3
0.363
DAR-DIA-6a508060-1
0.363
MAT-POS-ec6d90b7-1
0.362
MAT-POS-ec6d90b7-2
0.362
EDG-MED-971238d3-2
0.362
BRU-THA-73c97d88-1
0.362
MAT-POS-90505e2b-1
0.362
ALF-EVA-5b152d2f-6
0.362
MAT-POS-9db1e783-2
0.362
EDJ-MED-6864a934-2
0.361
EDG-MED-90036822-2
0.361
PET-UNK-10c83c8b-1
0.361
EDG-MED-90036822-97
0.361
DAR-DIA-ecdbc7dd-3
0.360
MIC-UNK-25b9c114-1
0.360
MIC-UNK-5d22d78d-1
0.360