Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ccc2c(n1)[nH]c1ccc(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-36
0.597
MAK-UNK-0d6072ac-32
0.543
MAK-UNK-0d6072ac-37
0.514
MAK-UNK-0d6072ac-31
0.514
AAR-POS-fca48359-20
0.493
MAK-UNK-0d6072ac-4
0.493
GER-UNI-ec786817-1
0.493
AAR-POS-fca48359-19
0.493
MAK-UNK-0d6072ac-3
0.493
MAK-UNK-0d6072ac-11
0.479
MAK-UNK-0d6072ac-33
0.472
MAK-UNK-0d6072ac-20
0.465
MAK-UNK-0d6072ac-34
0.452
MAK-UNK-0d6072ac-22
0.425
MAK-UNK-0d6072ac-24
0.413
MAK-UNK-0d6072ac-14
0.411
MAK-UNK-0d6072ac-12
0.408
MAK-UNK-0d6072ac-26
0.397
ALP-POS-4f3627cc-1
0.395
MAK-UNK-0d6072ac-25
0.395
MAK-UNK-0d6072ac-21
0.395
MAK-UNK-0d6072ac-23
0.392
MAK-UNK-0d6072ac-5
0.392
MAK-UNK-10dfa458-28
0.387
MAK-UNK-0d6072ac-8
0.377
MAK-UNK-0d6072ac-13
0.355
MAK-UNK-230cdef2-8
0.352
MAK-UNK-230cdef2-5
0.348
MAK-UNK-230cdef2-9
0.330
MAK-UNK-0d6072ac-9
0.325
MAK-UNK-0d6072ac-30
0.325
MAK-UNK-0d6072ac-7
0.325
MAK-UNK-0d6072ac-1
0.321
MAK-UNK-230cdef2-4
0.315
MAK-UNK-0d6072ac-29
0.313
MAK-UNK-0d6072ac-27
0.312
MAK-UNK-0d6072ac-38
0.309
MAK-UNK-0d6072ac-17
0.309
MAK-UNK-230cdef2-2
0.309
MAK-UNK-0d6072ac-19
0.308
AAR-POS-fca48359-18
0.308
MAK-UNK-230cdef2-1
0.307
MAK-UNK-0d6072ac-16
0.300
MAK-UNK-0d6072ac-18
0.300
SAN-PRS-3c4a6997-1
0.291
MAR-UCB-195bc32d-11
0.287
MAK-UNK-10dfa458-33
0.286
MAK-UNK-0d6072ac-28
0.286
MAK-UNK-10dfa458-37
0.286
MAK-UNK-230cdef2-6
0.277
MAK-UNK-10dfa458-34
0.277
MAK-UNK-230cdef2-7
0.268
MAK-UNK-0d6072ac-35
0.262
MAT-POS-590ac91e-58
0.250
GAB-REV-70cc3ca5-16
0.250
UNK-UNK-2ede4078-16
0.247
MAT-POS-590ac91e-66
0.245
MAT-POS-590ac91e-70
0.242
MAT-POS-590ac91e-42
0.242
MAR-TRE-fd17a9b8-32
0.240
DAR-DIA-eace69ff-37
0.240
MAT-POS-590ac91e-54
0.234
MAK-UNK-0d6072ac-2
0.232
LON-WEI-1908424e-9
0.232
MAT-POS-590ac91e-43
0.230
MAR-TRE-423310b6-83
0.228
MAR-TRE-92684b97-32
0.223
MAT-POS-590ac91e-53
0.223
MAR-TRE-8190bb11-88
0.222
MAK-UNK-230cdef2-3
0.222
MAT-POS-590ac91e-51
0.221
MAR-TRE-423310b6-54
0.221
MAT-POS-a2421bb6-4
0.220
MAT-POS-89e65850-3
0.220
MAR-TRE-423310b6-49
0.218
EDJ-MED-c8e7a002-9
0.217
MAR-TRE-fd17a9b8-1
0.217
MAT-POS-590ac91e-55
0.217
MAK-UNK-230cdef2-10
0.217
MAR-TRE-3724962b-1
0.217
MAR-TRE-87acfbcc-47
0.215
JAG-UCB-52b62a6f-19
0.215
MAT-POS-3b92565d-4
0.214
MAT-POS-e1b5ac6b-2
0.214
EDJ-MED-fb4b7746-4
0.213
EDG-MED-0e5afe9d-1
0.213
MAK-UNK-f203cb68-15
0.213
MAR-TRE-a9136c7b-66
0.212
MAR-TRE-87acfbcc-41
0.211
MAR-TRE-423310b6-42
0.211
MAR-TRE-87acfbcc-36
0.211
DAR-DIA-0d514e7d-34
0.210
EDJ-MED-f9b78f78-5
0.210
DAR-DIA-0d514e7d-35
0.210
WIL-UNI-d4749f31-4
0.210
JAG-UCB-52b62a6f-18
0.210
JAG-UCB-52b62a6f-8
0.210
JAG-UCB-52b62a6f-12
0.210
MAR-TRE-a9136c7b-90
0.209
MIL-FAC-5bdffd6b-1
0.209