Molecular Properties | |
SMILES: | COC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 |
MW: | 287.746 |
Fraction sp3: | 0.19 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 42.09 |
cLogP: | 4.251 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Ester
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-3
0.746
AAR-POS-fca48359-20
0.746
MAK-UNK-0d6072ac-14
0.746
MAK-UNK-0d6072ac-4
0.746
GER-UNI-ec786817-1
0.746
AAR-POS-fca48359-19
0.746
MAK-UNK-0d6072ac-25
0.710
MAK-UNK-0d6072ac-5
0.689
MAK-UNK-0d6072ac-26
0.619
MAK-UNK-10dfa458-28
0.576
MAK-UNK-0d6072ac-13
0.493
MAK-UNK-0d6072ac-1
0.471
MAK-UNK-0d6072ac-23
0.471
MAK-UNK-0d6072ac-11
0.458
MAK-UNK-0d6072ac-22
0.444
MAK-UNK-0d6072ac-7
0.432
MAK-UNK-0d6072ac-16
0.425
MAK-UNK-0d6072ac-10
0.413
MAK-UNK-0d6072ac-8
0.395
MAK-UNK-0d6072ac-20
0.387
MAK-UNK-0d6072ac-27
0.382
ALP-POS-4f3627cc-1
0.377
MAK-UNK-0d6072ac-17
0.377
MAK-UNK-0d6072ac-21
0.377
MAK-UNK-0d6072ac-12
0.372
MAK-UNK-0d6072ac-32
0.367
MAK-UNK-0d6072ac-33
0.359
MAK-UNK-0d6072ac-9
0.359
MAK-UNK-230cdef2-8
0.352
MAK-UNK-0d6072ac-18
0.351
MAK-UNK-0d6072ac-31
0.346
MAK-UNK-0d6072ac-34
0.342
MAK-UNK-230cdef2-9
0.330
MAK-UNK-0d6072ac-30
0.325
MAK-UNK-0d6072ac-19
0.325
AAR-POS-fca48359-18
0.325
MAK-UNK-0d6072ac-28
0.317
MAK-UNK-0d6072ac-29
0.313
MAK-UNK-10dfa458-34
0.309
MAK-UNK-230cdef2-1
0.307
MAR-UCB-195bc32d-11
0.304
MAK-UNK-10dfa458-33
0.301
MAK-UNK-10dfa458-37
0.301
MAK-UNK-230cdef2-4
0.300
MAK-UNK-230cdef2-7
0.281
MAK-UNK-230cdef2-5
0.278
SAN-PRS-3c4a6997-1
0.275
MAK-UNK-230cdef2-2
0.268
MAT-POS-590ac91e-42
0.268
MAR-TRE-fd17a9b8-32
0.265
MAK-UNK-0d6072ac-36
0.259
MAT-POS-590ac91e-43
0.255
MAK-UNK-230cdef2-6
0.252
GAB-REV-70cc3ca5-16
0.250
MAT-POS-590ac91e-58
0.250
MAK-UNK-0d6072ac-38
0.247
MAK-UNK-0d6072ac-37
0.247
MAT-POS-590ac91e-54
0.245
MAT-POS-590ac91e-51
0.245
MAT-POS-590ac91e-66
0.245
MAT-POS-590ac91e-55
0.240
DAR-DIA-eace69ff-37
0.240
MAR-TRE-a9136c7b-70
0.239
EDJ-MED-8698005e-1
0.235
WIL-UNI-d4749f31-4
0.235
MAK-UNK-0d6072ac-35
0.233
MAK-UNK-0d6072ac-2
0.232
CHR-UNK-b46452fc-1
0.232
CHR-UNK-e061132b-1
0.232
MAT-POS-590ac91e-70
0.230
MAR-TRE-a9136c7b-91
0.230
MAK-UNK-230cdef2-10
0.229
MAR-TRE-3724962b-1
0.227
MAT-POS-3b92565d-4
0.227
MAT-POS-e1b5ac6b-2
0.227
TRY-UNI-714a760b-15
0.225
EVA-UNK-a6bd3264-1
0.224
WIL-UNI-1faa9b10-1
0.223
MAR-TRE-92684b97-32
0.223
MAT-POS-590ac91e-53
0.223
JAN-GHE-83b26c96-2
0.222
MEL-NAT-8c3652c8-3
0.221
EDG-MED-21720aac-8
0.221
SAM-UNK-2684b532-5
0.220
JAN-GHE-83b26c96-3
0.219
LON-WEI-1908424e-9
0.219
MAR-TRE-66ac689e-79
0.218
MAR-TRE-66ac689e-80
0.218
SAM-UNK-2684b532-7
0.218
DAV-CRI-3edb475e-3
0.218
JAN-GHE-83b26c96-4
0.216
JAN-GHE-83b26c96-5
0.216
TRY-UNI-2eddb1ff-5
0.216
TRY-UNI-2eddb1ff-4
0.216
TRY-UNI-714a760b-18
0.216
EDJ-MED-f073a5ff-2
0.216
JON-UIO-82a15e73-7
0.215
EDG-MED-21720aac-2
0.214
TRY-UNI-9f475305-8
0.214
JON-UIO-066ce08b-7
0.212