Molecular Properties | |
SMILES: | Cc1c(C(C)C(=O)Oc2ccccc2)ccc2c1[nH]c1ccc(Cl)cc12 |
MW: | 363.1 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 42.09 |
cLogP: | 5.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phenol ester
Carboxylic acid esters
Ester
Phenylester
MAK-UNK-0d6072ac-20
MAK-UNK-0d6072ac-20
0.671
MAK-UNK-230cdef2-9
0.540
MAK-UNK-230cdef2-1
0.471
MAK-UNK-230cdef2-4
0.461
MAK-UNK-230cdef2-7
0.447
MAK-UNK-230cdef2-2
0.417
MAK-UNK-230cdef2-6
0.406
MAK-UNK-0d6072ac-22
0.376
MAK-UNK-0d6072ac-24
0.352
MAK-UNK-0d6072ac-10
0.352
MAK-UNK-0d6072ac-3
0.349
AAR-POS-fca48359-19
0.349
GER-UNI-ec786817-1
0.349
MAK-UNK-0d6072ac-4
0.349
AAR-POS-fca48359-20
0.349
MAK-UNK-0d6072ac-14
0.333
MAK-UNK-230cdef2-5
0.330
MAK-UNK-0d6072ac-32
0.330
MAK-UNK-0d6072ac-11
0.326
MAK-UNK-0d6072ac-21
0.322
MAK-UNK-0d6072ac-25
0.322
MAK-UNK-0d6072ac-33
0.322
MAK-UNK-0d6072ac-34
0.322
ALP-POS-4f3627cc-1
0.322
MAK-UNK-0d6072ac-26
0.322
MAK-UNK-0d6072ac-23
0.318
MAK-UNK-0d6072ac-5
0.318
MAK-UNK-230cdef2-10
0.315
MAK-UNK-0d6072ac-31
0.312
MAK-UNK-0d6072ac-13
0.303
MAK-UNK-10dfa458-28
0.300
MAK-UNK-0d6072ac-12
0.290
MAK-UNK-0d6072ac-17
0.266
MAK-UNK-230cdef2-3
0.261
MAR-UCB-195bc32d-11
0.261
MAK-UNK-0d6072ac-18
0.258
MAK-UNK-0d6072ac-16
0.258
MAR-TRE-92684b97-32
0.255
MAT-POS-590ac91e-58
0.255
GAB-REV-70cc3ca5-16
0.255
WIL-UNI-d4749f31-4
0.252
MAT-POS-590ac91e-51
0.250
MAT-POS-590ac91e-42
0.248
MAT-POS-590ac91e-43
0.248
NAU-LAT-356bd3c2-10
0.247
MAT-POS-590ac91e-55
0.246
JON-UIO-25071d63-4
0.242
MAK-UNK-0d6072ac-9
0.240
MAK-UNK-0d6072ac-37
0.240
GIA-UNK-3883fa4f-3
0.238
GIA-UNK-3883fa4f-2
0.237
SAN-PRS-3c4a6997-1
0.237
SAM-UNK-2684b532-1
0.235
NAU-LAT-a5c7d7cb-7
0.234
NAU-LAT-356bd3c2-9
0.232
JAN-GHE-82a280f8-3
0.232
NAU-LAT-a5c7d7cb-9
0.231
MAT-POS-590ac91e-53
0.230
JON-UIO-e1edb2d8-4
0.229
ALP-POS-ddb41b15-6
0.228
MAT-POS-590ac91e-66
0.227
LON-WEI-1908424e-9
0.226
DAR-DIA-0d514e7d-36
0.225
MAT-POS-590ac91e-70
0.225
ALP-POS-ddb41b15-4
0.225
MAK-UNK-0d6072ac-36
0.224
TRY-UNI-714a760b-18
0.224
TRY-UNI-2eddb1ff-4
0.224
JAN-GHE-83b26c96-4
0.224
TRY-UNI-2eddb1ff-5
0.224
JAN-GHE-83b26c96-5
0.224
VLA-UNK-5b0345c3-1
0.224
MAK-UNK-0d6072ac-19
0.223
AAR-POS-fca48359-18
0.223
ALP-POS-ddb41b15-7
0.223
MAT-POS-bb423b95-5
0.222
MAT-POS-3b92565d-5
0.222
JAG-UCB-c61058a9-45
0.221
VLA-UCB-50c39ae8-11
0.221
NAU-LAT-b7d8c353-3
0.221
VLA-UCB-05e51b3f-18
0.221
FRA-DIA-e29753f2-1
0.221
BEN-DND-b89db3f2-1
0.221
TRY-UNI-714a760b-15
0.220
JON-UIO-e1edb2d8-2
0.219
JON-UIO-314afe9d-2
0.219
ADA-UCB-6c2cb422-8
0.218
MAT-POS-590ac91e-54
0.218
DAR-DIA-0d514e7d-34
0.218
DAR-DIA-0d514e7d-35
0.218
MAR-UCB-6ab2ec87-2
0.218
JON-UIO-314afe9d-5
0.218
JAN-GHE-f4ca5a00-8
0.217
DAR-DIA-5ff57136-2
0.217
DAR-DIA-5ff57136-1
0.217
JON-UIO-314afe9d-4
0.216
MAT-POS-89e65850-3
0.216
NAU-LAT-356bd3c2-4
0.216
ROB-UNI-daaf9793-1
0.216
MAT-POS-e1b5ac6b-1
0.216