Molecular Properties | |
SMILES: | Cc1cc(Cl)cc2c1[nH]c1cc([C@H](C)C(=O)O)ccc12 |
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-3
0.515
AAR-POS-fca48359-20
0.515
MAK-UNK-0d6072ac-4
0.515
GER-UNI-ec786817-1
0.515
AAR-POS-fca48359-19
0.515
MAK-UNK-0d6072ac-16
0.507
MAK-UNK-0d6072ac-8
0.493
MAK-UNK-0d6072ac-27
0.458
MAK-UNK-0d6072ac-7
0.452
MAK-UNK-0d6072ac-18
0.444
MAK-UNK-0d6072ac-29
0.434
MAK-UNK-0d6072ac-9
0.432
MAK-UNK-0d6072ac-1
0.431
MAK-UNK-0d6072ac-28
0.421
MAK-UNK-0d6072ac-30
0.413
MAK-UNK-0d6072ac-25
0.395
MAK-UNK-0d6072ac-14
0.392
MAK-UNK-0d6072ac-24
0.377
MAK-UNK-0d6072ac-5
0.373
MAK-UNK-0d6072ac-19
0.342
AAR-POS-fca48359-18
0.342
ALP-POS-4f3627cc-1
0.342
MAK-UNK-0d6072ac-21
0.342
MAK-UNK-0d6072ac-20
0.333
MAK-UNK-10dfa458-34
0.325
MAK-UNK-0d6072ac-26
0.325
MAK-UNK-10dfa458-33
0.317
MAK-UNK-10dfa458-37
0.317
MAK-UNK-10dfa458-28
0.316
MAK-UNK-0d6072ac-22
0.316
MAK-UNK-0d6072ac-10
0.309
MAK-UNK-0d6072ac-12
0.305
MAK-UNK-0d6072ac-36
0.305
MAK-UNK-0d6072ac-35
0.293
MAK-UNK-0d6072ac-38
0.293
MAK-UNK-0d6072ac-31
0.282
MAK-UNK-0d6072ac-11
0.280
MAK-UNK-0d6072ac-2
0.278
MAK-UNK-230cdef2-10
0.277
MAK-UNK-0d6072ac-33
0.277
MAK-UNK-0d6072ac-37
0.277
EVA-UNK-a6bd3264-1
0.274
MAK-UNK-230cdef2-8
0.266
MAK-UNK-230cdef2-5
0.265
MAK-UNK-0d6072ac-34
0.262
MAK-UNK-0d6072ac-13
0.256
MAK-UNK-0d6072ac-32
0.256
MAR-TRE-92684b97-80
0.241
MAK-UNK-0d6072ac-23
0.241
MAK-UNK-230cdef2-9
0.235
MAK-UNK-230cdef2-3
0.234
TRY-UNI-2eddb1ff-3
0.221
LON-WEI-1908424e-9
0.219
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
MAK-UNK-f203cb68-16
0.215
MAK-UNK-f203cb68-17
0.215
MAK-UNK-f203cb68-7
0.210
MAR-TRE-799db12b-61
0.209
MAR-TRE-8190bb11-54
0.209
JAN-GHE-83b26c96-2
0.209
MAT-POS-fce787c2-3
0.207
MAK-UNK-230cdef2-2
0.206
MAK-UNK-f203cb68-21
0.206
MAR-TRE-66ac689e-80
0.205
MAK-UNK-f203cb68-8
0.202
ROB-UNI-b2e39629-6
0.200
JON-UIO-82a15e73-7
0.200
WIL-MOD-03b86a88-3
0.200
MAR-TRE-8190bb11-59
0.200
SAN-PRS-3c4a6997-1
0.200
MAR-TRE-14ce9fd6-51
0.200
NAU-LAT-30527ac5-6
0.200
NAU-LAT-0543f7f2-3
0.198
NAU-LAT-30527ac5-5
0.198
MAK-UNK-230cdef2-1
0.198
MAR-UCB-195bc32d-11
0.198
MAR-TRE-d3c2bf0e-40
0.197
JOH-IMS-1436231f-5
0.197
MAK-UNK-f203cb68-10
0.196
TRY-UNI-2eddb1ff-8
0.196
MAK-UNK-f203cb68-2
0.196
JAN-GHE-83b26c96-10
0.196
MAR-TRE-799db12b-96
0.195
BAR-COM-0f94fc3d-46
0.195
MAK-UNK-f203cb68-4
0.194
MAK-UNK-230cdef2-7
0.194
MAK-UNK-230cdef2-4
0.194
JAN-GHE-83b26c96-3
0.194
UNK-UNK-2ede4078-41
0.194
EDJ-MED-8698005e-1
0.193
MAK-UNK-f203cb68-22
0.192
DAV-CRI-3edb475e-2
0.192
MAK-UNK-f203cb68-19
0.192
RYA-UNI-6f4cba40-1
0.191
SAM-UNK-2684b532-7
0.191
MAK-UNK-f203cb68-12
0.190