Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C12CCC(O1)c1ccccc12 |
MW: | 316.12 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d08626de-1
MAT-POS-a3f7f96a-1
0.711
RAL-THA-eb6cb89c-2
0.702
MAT-POS-78e1d523-3
0.430
EDJ-MED-d08626de-3
0.430
MAT-POS-78e1d523-4
0.430
EDJ-MED-d08626de-4
0.430
EDJ-MED-d08626de-5
0.430
EDJ-MED-37aac4bd-1
0.430
MAT-POS-2905de8c-3
0.429
MAT-POS-9db1e783-1
0.429
VLA-UCB-1dbca3b4-14
0.429
EDJ-MED-e4b030d8-1
0.429
EDG-MED-971238d3-1
0.429
MAT-POS-993cdc78-1
0.427
MAT-POS-993cdc78-2
0.427
ALP-POS-fe871b40-11
0.427
RAL-THA-05e671eb-1
0.426
DAR-DIA-ecdbc7dd-13
0.423
DAR-DIA-ecdbc7dd-17
0.421
NAU-LAT-a5c7d7cb-1
0.420
VLA-UCB-05e51b3f-1
0.420
ALP-POS-6747fa38-1
0.420
BEN-DND-6de5dfa0-11
0.420
NIR-THE-d08c3b48-1
0.420
EDJ-MED-2f867453-1
0.418
EDJ-MED-e4b030d8-13
0.414
BEN-DND-a7517465-4
0.414
MAT-POS-c74bc7b3-2
0.414
MAT-POS-8e4737f4-1
0.414
DAR-DIA-6a508060-10
0.414
DAR-DIA-0d514e7d-30
0.414
MAT-POS-c74bc7b3-1
0.414
NAU-LAT-2fed8305-2
0.413
DAR-DIA-0d514e7d-35
0.412
DAR-DIA-0d514e7d-34
0.412
MAT-POS-9db1e783-2
0.412
MIC-UNK-ea4eb352-5
0.412
PET-UNK-29afea89-2
0.412
EDJ-MED-d08626de-2
0.412
EDG-MED-971238d3-2
0.412
EDG-MED-0e5afe9d-3
0.412
EDJ-MED-d08626de-1
0.412
LON-WEI-af038623-3
0.410
MAT-POS-e119ab4f-4
0.410
MAT-POS-932d1078-4
0.410
MAT-POS-932d1078-5
0.410
EDJ-MED-37aac4bd-2
0.410
MAT-POS-e6dd326d-1
0.408
MIC-UNK-6e9f8a43-2
0.408
MAT-POS-2bb0cf2b-1
0.408
PET-UNK-29afea89-1
0.408
MAT-POS-45b13633-1
0.408
EDG-MED-971238d3-5
0.408
ALP-POS-477dc5b7-3
0.407
MIC-UNK-5d22d78d-1
0.407
RAL-THA-05e671eb-21
0.406
MAT-POS-2905de8c-1
0.406
PET-UNK-407a74a5-5
0.406
MAT-POS-3b97339c-2
0.406
EDG-MED-971238d3-4
0.406
MAT-POS-2905de8c-2
0.406
EDJ-MED-70ab3faf-1
0.406
EDG-MED-971238d3-11
0.406
PET-UNK-824b5c6a-3
0.406
FRA-DIA-0fa076fe-1
0.404
FRA-DIA-c7e803f4-1
0.404
NAU-LAT-2fed8305-7
0.404
EDJ-MED-211392e3-1
0.404
PET-UNK-407a74a5-1
0.404
MAT-POS-e6dd326d-2
0.404
MAT-POS-45b13633-2
0.404
MIC-UNK-89b52b17-1
0.404
MIC-UNK-ea4eb352-1
0.404
PET-UNK-407a74a5-6
0.402
EDG-MED-90036822-86
0.402
EDJ-MED-4f704dc9-1
0.402
MIC-UNK-ea4eb352-7
0.402
RAL-THA-58fba2bc-4
0.402
ED_-GRI-5b13fbe2-72
0.402
EDG-MED-4c68219f-10
0.402
DAR-DIA-ecdbc7dd-4
0.402
EDJ-MED-f893e2a1-9
0.402
RAL-THA-58fba2bc-1
0.400
MIC-UNK-ea4eb352-11
0.400
RAL-THA-05e671eb-27
0.400
NIR-THE-3fc2bec4-1
0.400
PET-UNK-0cc03aae-5
0.400
EDJ-MED-e4b030d8-10
0.400
EDG-MED-971238d3-6
0.400
ALP-POS-fe871b40-12
0.400
RAL-THA-58fba2bc-3
0.400
EDG-MED-971238d3-9
0.400
MAT-POS-45b13633-4
0.400
EDG-MED-971238d3-3
0.400
EDG-MED-971238d3-10
0.400
JAG-UCB-706446eb-3
0.400
PET-UNK-3bb57da2-4
0.398
PET-UNK-3bb57da2-3
0.398
VLA-UCB-551c2366-1
0.398
FRA-DIA-13af2da5-2
0.398