Molecular Properties | |
SMILES: | O=c1[nH]cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1 |
MW: | 550.06 |
Fraction sp3: | 0.04 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 109.84 |
cLogP: | 4.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
branched_polycyclic_aromatic
VLA-UNK-792b5d03-3
0.697
VLA-UNK-792b5d03-2
0.598
VLA-UNK-792b5d03-1
0.538
MAK-UNK-9e4a73aa-35
0.276
MAK-UNK-9e4a73aa-3
0.276
MAK-UNK-9e4a73aa-12
0.264
DAR-DIA-d6e5861b-7
0.260
DAR-DIA-d6e5861b-8
0.259
PET-UNK-4dc48bbe-3
0.258
MAK-UNK-9e4a73aa-18
0.256
MAK-UNK-9e4a73aa-22
0.256
MAK-UNK-9e4a73aa-23
0.256
MAK-UNK-9e4a73aa-24
0.256
MAK-UNK-9e4a73aa-26
0.256
MAK-UNK-9e4a73aa-27
0.256
RAI-NOV-c18e0037-2
0.256
MAK-UNK-9e4a73aa-25
0.256
MAK-UNK-9e4a73aa-33
0.252
MAK-UNK-9e4a73aa-20
0.250
MAK-UNK-9e4a73aa-34
0.250
RAI-NOV-c18e0037-3
0.248
RAI-NOV-c18e0037-5
0.246
MAK-UNK-9e4a73aa-2
0.246
MAK-UNK-9e4a73aa-19
0.246
DAR-DIA-0587064e-9
0.243
PET-UNK-94460c07-5
0.242
DAR-DIA-d6e5861b-3
0.240
DAR-DIA-0587064e-23
0.240
DAR-DIA-d6e5861b-4
0.238
BEN-VAN-5787f7d3-7
0.237
MAK-UNK-d1e89583-8
0.235
MAK-UNK-9e4a73aa-17
0.234
BEN-VAN-5787f7d3-9
0.233
MAK-UNK-9e4a73aa-8
0.232
MAK-UNK-9e4a73aa-7
0.232
PET-UNK-94460c07-6
0.232
MAK-UNK-9e4a73aa-11
0.231
MAK-UNK-9e4a73aa-32
0.231
MAK-UNK-9e4a73aa-10
0.230
MAR-TRE-b77b7921-32
0.229
GER-UNI-cfb91824-1
0.228
MAK-UNK-a7b37c5e-1
0.228
MAR-TRE-4b834d9a-76
0.228
NIM-UNI-7ba87d62-3
0.227
MAK-UNK-9e4a73aa-5
0.226
STE-UNK-28609fce-1
0.226
MAR-TRE-3e4e6814-54
0.223
NIM-UNI-7f77122c-1
0.222
DAR-DIA-0587064e-22
0.221
DAR-DIA-0587064e-7
0.219
RAI-NOV-c18e0037-6
0.219
NIR-WEI-f9286bb6-3
0.219
MAR-TRE-74c6519b-20
0.218
RAI-NOV-c18e0037-1
0.218
PET-UNK-4dc48bbe-5
0.217
NIR-WEI-f9286bb6-2
0.214
BEN-BAS-bb561ced-1
0.213
MAK-UNK-9e4a73aa-21
0.213
ERI-UCB-ce40166b-22
0.212
DAR-DIA-fc970077-3
0.211
MUS-SCH-c2f96c06-10
0.211
DAR-DIA-fc970077-11
0.210
UNK-UNK-2ede4078-31
0.210
MAR-TRE-74c6519b-63
0.208
NIM-UNI-0ea3b7bf-5
0.208
RAI-NOV-c18e0037-4
0.208
BRU-THA-92256091-89
0.208
DAR-DIA-fc970077-1
0.207
MAR-TRE-74c6519b-26
0.207
MAR-TRE-74c6519b-18
0.207
NIM-UNI-534877e5-3
0.207
MAK-UNK-9e4a73aa-9
0.206
MAK-UNK-9e4a73aa-36
0.206
MAR-TRE-2fd8122f-25
0.204
NIM-UNI-534877e5-2
0.204
DAR-DIA-5d6f1b43-28
0.204
EMI-TUK-b780fc43-1
0.203
EMI-TUK-6c6b371f-1
0.203
MAK-UNK-9e4a73aa-28
0.203
DAR-DIA-5d6f1b43-33
0.203
DAR-DIA-fc970077-10
0.202
MAK-UNK-9e4a73aa-4
0.202
NIM-UNI-0ea3b7bf-4
0.202
KEI-TRE-d5e2018a-56
0.201
RAL-THA-9041a04d-4
0.201
MAT-POS-a54ce14d-1
0.201
BRU-THA-92256091-28
0.201
JUL-TUD-06b2044f-78
0.200
MAT-POS-b5746674-75
0.200
DRV-DNY-3e405af9-5
0.200
MAK-UNK-9e4a73aa-6
0.200
ERI-UCB-ce40166b-24
0.200
ALP-POS-6d96567b-2
0.199
MAR-TRE-3159af1a-99
0.199
MAR-TRE-04c86cea-69
0.199
MAR-TRE-04c86cea-71
0.198
MAK-UNK-9e4a73aa-15
0.198
PET-UNK-4dc48bbe-1
0.198
MAR-TRE-04c86cea-13
0.198
NIM-UNI-7f77122c-2
0.197