Molecular Properties | |
SMILES: | Cc1cc2c(cc1[C@H](C)C(=O)O)[nH]c1ccc(Cl)cc12 |
MW: | 287.746 |
Fraction sp3: | 0.19 |
HBA: | 1 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 53.09 |
cLogP: | 4.47102 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-4
0.530
GER-UNI-ec786817-1
0.530
AAR-POS-fca48359-19
0.530
MAK-UNK-0d6072ac-3
0.530
AAR-POS-fca48359-20
0.530
MAK-UNK-0d6072ac-11
0.515
MAK-UNK-0d6072ac-20
0.500
MAK-UNK-0d6072ac-14
0.464
MAK-UNK-0d6072ac-26
0.449
MAK-UNK-0d6072ac-24
0.444
MAK-UNK-0d6072ac-25
0.444
MAK-UNK-0d6072ac-21
0.444
ALP-POS-4f3627cc-1
0.444
MAK-UNK-0d6072ac-5
0.443
MAK-UNK-10dfa458-28
0.437
MAK-UNK-0d6072ac-33
0.425
MAK-UNK-0d6072ac-10
0.425
MAK-UNK-0d6072ac-23
0.423
MAK-UNK-0d6072ac-13
0.423
MAK-UNK-0d6072ac-32
0.413
MAK-UNK-0d6072ac-34
0.405
MAK-UNK-0d6072ac-12
0.400
MAK-UNK-0d6072ac-31
0.390
MAK-UNK-230cdef2-8
0.376
MAK-UNK-230cdef2-5
0.356
MAK-UNK-230cdef2-9
0.352
MAK-UNK-0d6072ac-1
0.329
MAK-UNK-0d6072ac-16
0.325
MAK-UNK-0d6072ac-18
0.325
MAK-UNK-0d6072ac-17
0.316
MAR-UCB-195bc32d-11
0.312
MAK-UNK-230cdef2-2
0.301
MAK-UNK-0d6072ac-9
0.300
MAK-UNK-0d6072ac-7
0.300
MAK-UNK-230cdef2-1
0.299
SAN-PRS-3c4a6997-1
0.299
MAK-UNK-230cdef2-4
0.292
MAK-UNK-0d6072ac-8
0.284
MAK-UNK-10dfa458-34
0.284
MAK-UNK-0d6072ac-19
0.282
AAR-POS-fca48359-18
0.282
MAK-UNK-230cdef2-7
0.274
MAK-UNK-230cdef2-6
0.270
MAK-UNK-0d6072ac-36
0.265
MAK-UNK-10dfa458-33
0.262
MAK-UNK-0d6072ac-28
0.262
MAK-UNK-10dfa458-37
0.262
MAK-UNK-230cdef2-10
0.257
MAK-UNK-0d6072ac-27
0.256
GAB-REV-70cc3ca5-16
0.255
MAK-UNK-0d6072ac-2
0.253
MAK-UNK-0d6072ac-35
0.253
MAK-UNK-0d6072ac-38
0.253
MAK-UNK-0d6072ac-30
0.253
MAK-UNK-0d6072ac-37
0.253
MAK-UNK-230cdef2-3
0.250
MAT-POS-590ac91e-66
0.250
MAK-UNK-0d6072ac-29
0.244
MAT-POS-590ac91e-58
0.242
MAT-POS-590ac91e-51
0.238
MAT-POS-590ac91e-43
0.235
MAT-POS-590ac91e-42
0.235
MAT-POS-590ac91e-55
0.233
MAR-TRE-fd17a9b8-32
0.232
DAR-DIA-eace69ff-37
0.230
MAT-POS-590ac91e-53
0.227
MAT-POS-590ac91e-70
0.222
MAK-UNK-f203cb68-15
0.217
MAT-POS-590ac91e-54
0.215
WIL-UNI-d4749f31-4
0.214
LON-WEI-1908424e-9
0.211
MAR-TRE-fd17a9b8-1
0.210
DAV-CRI-3edb475e-3
0.208
MAR-TRE-14ce9fd6-51
0.205
MAR-TRE-be9ff7d2-61
0.205
ROB-UNI-b2e39629-6
0.205
DAR-DIA-5a24bef0-7
0.204
DAR-DIA-5a24bef0-10
0.204
MAR-TRE-a9136c7b-66
0.202
MAR-TRE-3724962b-1
0.200
EDG-MED-21720aac-5
0.200
TRY-UNI-2eddb1ff-3
0.198
JOH-UNI-c7afdb96-5
0.198
JOH-MSK-a63bdd1d-8
0.198
EDG-MED-21720aac-1
0.198
EVA-UNK-a6bd3264-1
0.197
MAR-TRE-9d18ae8c-25
0.195
MAR-TRE-d3c2bf0e-46
0.194
MAR-TRE-d3c2bf0e-28
0.194
MAT-POS-3b92565d-4
0.194
MAT-POS-e1b5ac6b-2
0.194
NAU-LAT-56d5284e-5
0.194
MAK-UNK-f203cb68-6
0.194
TRY-UNI-2eddb1ff-5
0.193
TRY-UNI-2eddb1ff-4
0.193
MAR-TRE-a9136c7b-91
0.193
TRY-UNI-714a760b-18
0.193
EDG-MED-21720aac-11
0.193
JAN-GHE-83b26c96-4
0.193
JAN-GHE-83b26c96-5
0.193