Molecular Properties | |
SMILES: | O=C1Nc2cncc3ccc(cc23)OCCOCC2NCc3ccc(Cl)cc3C12 |
MW: | 409.12 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 72.48 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-cf877e1d-2
RAM-THI-7078c165-1
0.518
MAT-UNK-38d3ea22-1
0.474
MAT-UNK-ff8c4e54-1
0.470
MAT-UNK-12b5acf5-1
0.388
MAT-UNK-1889d436-1
0.349
MAT-UNK-6917668e-1
0.333
BEN-DND-f2e727cd-5
0.275
MAT-POS-d8472c4f-5
0.275
MAT-POS-3ccb8ef6-2
0.275
MAT-POS-3ccb8ef6-1
0.275
EDJ-MED-487c5e9f-11
0.271
ALF-EVA-a24cc7ce-6
0.270
MAT-POS-b3e365b9-2
0.264
MAT-POS-f7918075-1
0.264
VLA-UCB-1dbca3b4-15
0.264
BEN-DND-f2e727cd-4
0.264
ALP-UNI-c3ef0aba-2
0.264
MAT-POS-b3e365b9-1
0.264
DAR-DIA-6a508060-1
0.262
BEN-DND-4f474d93-2
0.262
ALP-POS-ce760d3f-3
0.262
JOH-UNI-df8adf26-2
0.262
DAR-DIA-6a49afbe-11
0.260
BEN-DND-d1eb1f41-9
0.260
MAK-UNK-8be7dca9-8
0.260
MAT-POS-4223bc15-8
0.259
EDJ-MED-d203f206-3
0.258
NIR-WEI-acbd6416-2
0.258
FRA-DIA-a1f3a927-1
0.258
ALF-EVA-5b152d2f-2
0.258
MAT-NA_-7dc3e0f8-1
0.258
MAK-UNK-8be7dca9-7
0.256
RAL-THA-b9d6aec1-2
0.256
EDJ-MED-15e90dfc-6
0.255
VLA-UNK-f49ebb87-1
0.254
MAT-POS-fb82b63d-1
0.254
ALF-EVA-5b152d2f-3
0.254
PET-UNK-ee8352fa-4
0.254
BEN-DND-c852c98b-5
0.254
ERI-UCB-8d4e5055-4
0.254
MAT-POS-8293a91a-3
0.254
ALP-POS-82da25a3-2
0.254
VLA-UNK-5c5a631c-3
0.254
EDJ-MED-487c5e9f-7
0.254
MAT-UNK-2f7e45db-1
0.254
EDJ-MED-12c115cc-1
0.252
EDJ-MED-12c115cc-2
0.252
MAT-POS-bbbbc21a-2
0.252
MAT-POS-f7918075-2
0.252
BEN-DND-c852c98b-4
0.252
ALP-POS-696356e4-1
0.252
EDJ-MED-ba7e64f2-1
0.252
MIC-UNK-45817b9b-1
0.252
MAT-POS-43c25e9b-1
0.252
EDG-MED-5d232de5-2
0.252
ALP-POS-ce760d3f-7
0.252
EDJ-MED-a6bd50ad-1
0.252
MAT-POS-43c25e9b-2
0.252
EDG-MED-5d232de5-1
0.252
NIR-THE-1e03c142-1
0.252
VLA-UNK-c65c1026-5
0.252
EDJ-MED-487c5e9f-9
0.252
EDJ-MED-1981ceba-1
0.252
ERI-UCB-8d4e5055-5
0.252
MAT-POS-86c60949-3
0.252
ADA-UCB-dc2b944c-16
0.250
EDJ-MED-28ec730d-2
0.250
VLA-UNK-70dd90ef-1
0.250
ROB-UNI-322e8f70-2
0.250
MAT-POS-fb82b63d-3
0.250
JOH-UNI-ea72002d-1
0.250
JOH-UNI-ea72002d-3
0.250
RAL-THA-b9d6aec1-3
0.250
MAT-POS-2e8b2191-2
0.250
MIC-UNK-89b52b17-1
0.250
JAG-UCB-706446eb-3
0.248
BEN-DND-c852c98b-6
0.248
EDG-MED-971238d3-9
0.248
ALF-EVA-5b152d2f-1
0.248
ERI-UCB-b3e6b0c2-1
0.248
ALF-EVA-5b152d2f-4
0.248
VLA-UNK-58704097-1
0.248
MAR-UCB-6ab2ec87-5
0.248
MAK-UNK-8be7dca9-4
0.246
JOH-UNI-ea72002d-4
0.246
BEN-DND-c852c98b-2
0.246
DAR-DIA-5ff57136-14
0.246
VLA-UNK-ba665ac8-1
0.246
ALP-POS-e0fe77e5-8
0.246
DAR-DIA-4987d2cd-4
0.246
MAT-POS-4223bc15-26
0.246
RAL-THA-b9d6aec1-1
0.246
EDJ-MED-2791eece-11
0.246
VLA-UCB-50c39ae8-1
0.246
EDJ-MED-2791eece-2
0.246
VLA-MRT-8c78ee15-1
0.246
ALP-POS-d054b76b-2
0.246
VLA-UCB-34f3ed0c-11
0.246
VLA-UCB-29506327-1
0.246
BEN-BAS-5c03e89e-1
0.246