Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCNC(=O)c1cc[nH]c(=O)c1 |
MW: | 322.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.42 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
BEN-DND-7e92b6ca-1
0.647
ALP-POS-05819dc4-1
0.518
MAT-POS-3b536971-1
0.518
EDJ-MED-edeb0d3a-2
0.518
VLA-UNK-eaa804fd-1
0.476
VLA-UNK-eaa804fd-2
0.476
MAT-POS-54c4bf04-2
0.471
MAT-POS-8fd29122-1
0.400
MAT-POS-590ac91e-42
0.376
BEN-DND-b89db3f2-5
0.368
EDJ-MED-edeb0d3a-1
0.368
EDJ-MED-bbe8e3da-3
0.368
EDJ-MED-edeb0d3a-3
0.368
VLA-UNK-eaa804fd-3
0.362
EDJ-MED-6af13d92-2
0.337
EDJ-MED-6af13d92-3
0.333
VLA-UNK-eaa804fd-5
0.333
PET-UNK-752bebd6-1
0.333
ALP-POS-64a6e87e-1
0.333
VLA-UNK-eaa804fd-4
0.330
EDJ-MED-6af13d92-1
0.323
MAT-POS-916a2c5a-2
0.323
ALP-POS-3fc1724e-1
0.316
MAT-POS-35d3f55a-2
0.316
MAT-POS-590ac91e-53
0.315
MAT-POS-590ac91e-32
0.309
EDJ-MED-bbe8e3da-4
0.304
DAR-DIA-8e329c92-1
0.295
ERI-UCB-ce40166b-25
0.293
NAU-LAT-a5c7d7cb-7
0.292
EDJ-MED-bbe8e3da-2
0.291
COM-UCB-1ef4e90e-21
0.289
DAR-DIA-8e329c92-3
0.287
JOH-UNI-abfda500-3
0.284
UNK-UNK-2ede4078-28
0.284
DAR-DIA-8e329c92-2
0.284
MAR-TRE-3159af1a-25
0.282
MAT-POS-35d3f55a-1
0.278
EDJ-MED-bbe8e3da-1
0.275
MAT-POS-91829f0d-1
0.274
MAR-UCB-f313ec4d-2
0.274
MAT-POS-590ac91e-47
0.270
MAR-TRE-8a25d817-9
0.267
MAT-POS-590ac91e-43
0.267
MAR-TRE-8190bb11-95
0.267
MAR-TRE-c8530538-69
0.266
MAT-POS-3b92565d-4
0.265
MAT-POS-e1b5ac6b-2
0.265
ERI-UCB-ce40166b-20
0.261
BEN-DND-7e92b6ca-5
0.261
ERI-UCB-ce40166b-16
0.259
ALP-POS-fc6c627f-3
0.259
MAT-POS-590ac91e-46
0.259
MAR-TRE-fd17a9b8-94
0.259
WIL-UNI-2e73223c-4
0.258
AAR-UNI-c25c2f1e-57
0.257
MAR-TRE-6c5ef77a-77
0.256
AAR-UNI-c25c2f1e-89
0.253
MAT-UCB-70f7c0f7-1
0.252
ERI-UCB-ce40166b-19
0.252
COM-UCB-8c7d23dc-3
0.250
MAR-TRE-92684b97-32
0.250
MAR-TRE-f5c2d31c-94
0.250
NAU-LAT-b7d8c353-4
0.247
MAT-POS-3b92565d-10
0.247
BEN-DND-b89db3f2-2
0.247
JUL-TUD-06b2044f-38
0.247
JAR-KUA-8c13982c-20
0.245
MIC-UNK-67d4a29a-4
0.245
JIN-POS-6dc588a4-3
0.242
MAR-TRE-4f781e27-58
0.242
EDJ-MED-49816e9b-5
0.241
MAT-UCB-70f7c0f7-2
0.241
EDJ-MED-d1cd9639-2
0.240
EDJ-MED-d1cd9639-1
0.240
BEN-DND-b89db3f2-3
0.240
ERI-UCB-ce40166b-18
0.239
ERI-UCB-ce40166b-15
0.239
DAR-DIA-1a77c53a-1
0.238
MAR-TRE-4b834d9a-79
0.238
MAT-POS-3b92565d-7
0.237
VLA-UNK-dc1d9354-1
0.237
DAR-DIA-1a77c53a-7
0.236
MAT-POS-8fd29122-2
0.236
NAU-LAT-0543f7f2-1
0.235
DAR-DIA-1a77c53a-5
0.235
ALP-POS-5de921e7-4
0.235
DAR-DIA-1a77c53a-6
0.235
MEL-NAT-8c3652c8-3
0.235
JAN-GHE-5a013bed-5
0.235
ALP-POS-3fc1724e-2
0.234
DAR-DIA-1a77c53a-9
0.234
ADA-UCB-6c2cb422-8
0.234
ERI-UCB-ce40166b-17
0.234
KEI-TRE-d5e2018a-39
0.234
NIM-UNI-b87c0f72-2
0.233
ALP-POS-5de921e7-6
0.233
MAT-POS-ea426761-10
0.233
LON-WEI-4d77710c-68
0.233
LON-WEI-5e7d1b3e-68
0.233