Molecular Properties | |
SMILES: | O=C1Nc2cncc3ccc(cc23)OCCOC(=O)N2CCc3ccc(Cl)cc3C12 |
MW: | 423.1 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 80.76 |
cLogP: | 3.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-cf877e1d-2
RAM-THI-7078c165-2
0.518
MAT-UNK-38d3ea22-1
0.483
MAT-UNK-ff8c4e54-1
0.479
MAT-UNK-12b5acf5-1
0.408
MAT-UNK-1889d436-1
0.379
MAT-UNK-6917668e-1
0.352
BEN-DND-d1eb1f41-9
0.333
EDJ-MED-487c5e9f-5
0.295
MAT-POS-fb82b63d-3
0.289
MAT-NA_-7dc3e0f8-1
0.285
EDJ-MED-2791eece-2
0.285
EDJ-MED-b774e9fe-1
0.285
EDJ-MED-2791eece-11
0.283
EDJ-MED-036ae2e9-1
0.282
EDJ-MED-2791eece-6
0.282
EDJ-MED-b774e9fe-2
0.282
MAT-UNK-2f7e45db-1
0.280
EDJ-MED-2791eece-12
0.280
EDJ-MED-036ae2e9-8
0.278
EDJ-MED-036ae2e9-2
0.278
EDJ-MED-2791eece-8
0.276
EDJ-MED-b774e9fe-3
0.276
EDJ-MED-036ae2e9-4
0.273
EDJ-MED-487c5e9f-7
0.271
BEN-DND-d1eb1f41-8
0.270
EDJ-MED-487c5e9f-9
0.269
EDJ-MED-2791eece-4
0.269
EDJ-MED-487c5e9f-11
0.269
EDJ-MED-2791eece-9
0.267
EDJ-MED-2791eece-1
0.266
MAT-POS-fb82b63d-4
0.266
EDJ-MED-2791eece-10
0.266
EDJ-MED-036ae2e9-3
0.266
DAR-DIA-4987d2cd-4
0.264
MAT-POS-fb82b63d-1
0.262
ALP-POS-477dc5b7-1
0.262
MIC-UNK-91acba05-4
0.262
EDJ-MED-2791eece-5
0.262
EDJ-MED-487c5e9f-12
0.261
EDJ-MED-036ae2e9-9
0.260
EDJ-MED-036ae2e9-10
0.260
EDJ-MED-487c5e9f-4
0.259
EDJ-MED-036ae2e9-7
0.258
EDJ-MED-2791eece-3
0.258
EDJ-MED-2791eece-7
0.258
EDJ-MED-036ae2e9-12
0.257
EDJ-MED-487c5e9f-1
0.257
EDJ-MED-036ae2e9-6
0.256
ERI-UCB-8d4e5055-2
0.255
MAT-POS-8695a11f-2
0.255
PET-UNK-1b92fa34-2
0.254
PET-UNK-1e13ef09-6
0.254
ERI-UCB-b3e6b0c2-2
0.254
ALP-POS-e6e0c683-4
0.254
PET-UNK-1e13ef09-2
0.254
EDJ-MED-28b38b9b-2
0.254
MAK-UNK-8be7dca9-4
0.254
DAR-DIA-4987d2cd-3
0.252
PET-UNK-1e13ef09-4
0.252
EDJ-MED-487c5e9f-10
0.252
ERI-UCB-b3e6b0c2-6
0.252
PET-UNK-9b23ef84-11
0.252
EDJ-MED-487c5e9f-3
0.252
EDJ-MED-841e0cf0-6
0.250
EDJ-MED-670ad2ee-7
0.250
EDJ-MED-670ad2ee-8
0.250
MAT-POS-43c25e9b-1
0.250
JOH-UNI-df8adf26-3
0.250
EDJ-MED-1981ceba-1
0.250
MAT-POS-86c60949-3
0.250
EDJ-MED-036ae2e9-11
0.250
DAR-DIA-6a508060-1
0.250
MAT-POS-43c25e9b-2
0.250
EDJ-MED-92e193ae-2
0.250
MIC-UNK-91acba05-5
0.250
EDJ-MED-a6bd50ad-1
0.250
ERI-UCB-b3e6b0c2-5
0.250
ERI-UCB-8d4e5055-5
0.250
BEN-DND-4f474d93-2
0.250
MIC-UNK-45817b9b-1
0.250
ALP-POS-477dc5b7-2
0.250
ALP-POS-ce760d3f-3
0.250
EDJ-MED-92e193ae-1
0.250
VLA-UCB-05e51b3f-7
0.248
VLA-UCB-50c39ae8-4
0.248
MAT-POS-4223bc15-30
0.248
EDJ-MED-487c5e9f-8
0.248
EDJ-MED-487c5e9f-6
0.248
BEN-DND-d1eb1f41-3
0.248
JOH-UNI-ea72002d-1
0.248
MAT-POS-4223bc15-21
0.248
EDJ-MED-c40d95bc-2
0.248
PET-UNK-1b92fa34-1
0.248
MAT-POS-2e8b2191-2
0.248
ADA-UCB-dc2b944c-16
0.248
EDJ-MED-036ae2e9-5
0.246
FRA-DIA-6238d354-2
0.246
BEN-DND-d1eb1f41-10
0.246
PET-UNK-fe31e24a-2
0.246
EDJ-MED-827e7cb4-1
0.246