Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ncc(Cl)cc12 |
MW: | 274.707 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 65.98 |
cLogP: | 3.5576 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-27
0.591
AAR-POS-fca48359-19
0.537
MAK-UNK-0d6072ac-4
0.537
AAR-POS-fca48359-20
0.537
MAK-UNK-0d6072ac-3
0.537
GER-UNI-ec786817-1
0.537
MAK-UNK-0d6072ac-7
0.536
MAK-UNK-0d6072ac-29
0.514
MAK-UNK-0d6072ac-36
0.507
MAK-UNK-0d6072ac-17
0.493
MAK-UNK-0d6072ac-38
0.493
MAK-UNK-0d6072ac-16
0.486
MAK-UNK-0d6072ac-28
0.479
MAK-UNK-0d6072ac-30
0.472
MAK-UNK-0d6072ac-1
0.471
MAK-UNK-0d6072ac-9
0.432
MAK-UNK-0d6072ac-18
0.425
MAK-UNK-0d6072ac-14
0.411
MAK-UNK-0d6072ac-25
0.395
MAK-UNK-0d6072ac-24
0.395
MAK-UNK-0d6072ac-5
0.392
MAK-UNK-0d6072ac-10
0.377
MAK-UNK-0d6072ac-19
0.360
AAR-POS-fca48359-18
0.360
MAK-UNK-0d6072ac-12
0.354
MAK-UNK-0d6072ac-32
0.350
MAK-UNK-0d6072ac-31
0.346
MAK-UNK-0d6072ac-26
0.342
ALP-POS-4f3627cc-1
0.342
MAK-UNK-0d6072ac-21
0.342
MAK-UNK-10dfa458-28
0.333
MAK-UNK-0d6072ac-11
0.329
MAK-UNK-0d6072ac-34
0.325
MAK-UNK-10dfa458-34
0.325
MAK-UNK-10dfa458-33
0.317
MAK-UNK-10dfa458-37
0.317
MAK-UNK-0d6072ac-35
0.309
MAK-UNK-0d6072ac-2
0.295
MAK-UNK-0d6072ac-33
0.293
MAK-UNK-0d6072ac-37
0.293
MAK-UNK-0d6072ac-20
0.284
MAK-UNK-0d6072ac-22
0.284
JAN-GHE-83b26c96-2
0.264
MAR-TRE-87acfbcc-22
0.263
EVA-UNK-a6bd3264-1
0.257
MAR-TRE-87acfbcc-21
0.256
MAK-UNK-0d6072ac-23
0.256
MAR-TRE-799db12b-61
0.253
JAN-GHE-83b26c96-6
0.253
MAK-UNK-230cdef2-5
0.253
SAM-UNK-2684b532-5
0.247
RED-RED-10c9212c-14
0.242
MAK-UNK-0d6072ac-13
0.241
JAN-GHE-83b26c96-7
0.239
MAK-UNK-f203cb68-2
0.234
MAR-TRE-87acfbcc-20
0.234
MAT-POS-fce787c2-3
0.233
SAM-UNK-2684b532-6
0.233
MAR-TRE-87acfbcc-79
0.233
SAM-UNK-2684b532-7
0.233
MAR-TRE-87acfbcc-67
0.232
MAR-TRE-87acfbcc-87
0.232
LON-WEI-1908424e-9
0.232
JAN-GHE-83b26c96-3
0.232
MAK-UNK-f203cb68-21
0.230
TRY-UNI-714a760b-18
0.230
JAN-GHE-83b26c96-4
0.230
TRY-UNI-2eddb1ff-5
0.230
JAN-GHE-83b26c96-5
0.230
TRY-UNI-2eddb1ff-4
0.230
MAR-TRE-87acfbcc-35
0.229
MAR-TRE-8190bb11-59
0.229
MAR-TRE-be9ff7d2-61
0.227
MAR-TRE-87acfbcc-36
0.227
JON-UIO-82a15e73-6
0.226
MAR-TRE-92684b97-80
0.226
TRY-UNI-714a760b-15
0.225
MAR-TRE-87acfbcc-38
0.224
MAR-TRE-799db12b-96
0.224
MAR-TRE-8190bb11-72
0.224
BAR-COM-0f94fc3d-46
0.224
MAR-TRE-e82e6c98-20
0.224
MAR-TRE-92684b97-32
0.223
JOH-UNI-f0df842c-1
0.223
MAR-TRE-87acfbcc-16
0.222
MAR-TRE-66ac689e-56
0.222
TRY-UNI-2eddb1ff-3
0.221
MAR-TRE-87acfbcc-91
0.221
MAK-UNK-f203cb68-10
0.220
MAT-POS-89e65850-3
0.220
MAR-TRE-87acfbcc-28
0.220
MAT-POS-c0609ef7-1
0.219
MAR-TRE-87acfbcc-7
0.218
BEN-DND-03406596-4
0.218
BEN-DND-03406596-11
0.218
MAR-TRE-87acfbcc-15
0.218
BEN-DND-93268d01-1
0.218
BEN-DND-03406596-12
0.218
MAK-UNK-2c1752f0-2
0.217
MAK-UNK-230cdef2-10
0.217