Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1cnc2c(n1)[nH]c1ccc(Cl)cc12 |
MW: | 275.695 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 78.87 |
cLogP: | 2.9526 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-34
0.557
MAK-UNK-0d6072ac-10
0.514
MAK-UNK-0d6072ac-12
0.507
MAK-UNK-0d6072ac-33
0.493
MAK-UNK-0d6072ac-32
0.480
MAK-UNK-0d6072ac-11
0.479
GER-UNI-ec786817-1
0.432
AAR-POS-fca48359-19
0.432
AAR-POS-fca48359-20
0.432
MAK-UNK-0d6072ac-4
0.432
MAK-UNK-0d6072ac-3
0.432
MAK-UNK-0d6072ac-20
0.408
MAK-UNK-0d6072ac-22
0.390
MAK-UNK-0d6072ac-21
0.380
ALP-POS-4f3627cc-1
0.380
MAK-UNK-0d6072ac-36
0.375
MAK-UNK-0d6072ac-38
0.362
MAK-UNK-0d6072ac-14
0.359
MAK-UNK-0d6072ac-29
0.349
MAK-UNK-0d6072ac-26
0.346
MAK-UNK-0d6072ac-24
0.346
MAK-UNK-0d6072ac-37
0.346
MAK-UNK-0d6072ac-8
0.346
MAK-UNK-0d6072ac-25
0.346
MAK-UNK-0d6072ac-5
0.342
MAK-UNK-10dfa458-28
0.338
MAK-UNK-0d6072ac-7
0.329
MAK-UNK-0d6072ac-30
0.329
MAK-UNK-0d6072ac-13
0.325
MAK-UNK-230cdef2-5
0.323
MAK-UNK-0d6072ac-35
0.313
MAK-UNK-10dfa458-34
0.313
MAK-UNK-230cdef2-8
0.312
MAK-UNK-0d6072ac-23
0.309
MAK-UNK-0d6072ac-28
0.306
MAK-UNK-0d6072ac-9
0.298
MAK-UNK-0d6072ac-1
0.293
MAK-UNK-230cdef2-9
0.292
MAK-UNK-0d6072ac-16
0.289
MAK-UNK-0d6072ac-27
0.286
MAK-UNK-0d6072ac-17
0.282
MAK-UNK-0d6072ac-19
0.280
SAN-PRS-3c4a6997-1
0.280
AAR-POS-fca48359-18
0.280
MAR-UCB-195bc32d-11
0.277
MAK-UNK-230cdef2-1
0.269
GAB-REV-70cc3ca5-16
0.267
MAK-UNK-230cdef2-4
0.263
MAK-UNK-230cdef2-2
0.260
MAK-UNK-0d6072ac-18
0.259
MAK-UNK-230cdef2-6
0.257
MAR-TRE-87acfbcc-79
0.257
MAK-UNK-230cdef2-7
0.248
MAT-POS-590ac91e-43
0.248
MAT-POS-590ac91e-42
0.248
MAK-UNK-10dfa458-33
0.247
MAK-UNK-10dfa458-37
0.247
UNK-UNK-2ede4078-16
0.240
MAT-POS-590ac91e-66
0.238
LON-WEI-1908424e-9
0.237
MAR-TRE-87acfbcc-36
0.234
MAR-TRE-fd17a9b8-32
0.233
MAR-TRE-f5c2d31c-88
0.233
MAR-TRE-3724962b-1
0.231
DAR-DIA-eace69ff-37
0.231
MAT-POS-590ac91e-58
0.230
MAT-POS-590ac91e-53
0.228
MAT-POS-89e65850-3
0.225
MAR-TRE-87acfbcc-7
0.225
MAR-TRE-87acfbcc-20
0.225
MAR-TRE-87acfbcc-15
0.225
MAR-TRE-fd17a9b8-41
0.224
MAK-UNK-0d6072ac-2
0.224
MAR-TRE-87acfbcc-22
0.224
MAR-TRE-87acfbcc-67
0.224
RED-RED-10c9212c-14
0.223
DAR-DIA-5ff57136-16
0.223
MAK-UNK-230cdef2-10
0.222
MAR-TRE-87acfbcc-47
0.222
MAR-TRE-fd17a9b8-1
0.222
LUO-POS-433ce175-1
0.221
MAT-POS-29385cc1-2
0.220
MAR-TRE-be9ff7d2-61
0.220
MAT-POS-8a69d52e-4
0.219
ADA-UCB-dc2b944c-14
0.219
MAT-POS-8a69d52e-5
0.219
MAT-POS-8a69d52e-7
0.219
MAT-POS-22e8b45a-4
0.219
MAT-POS-777f5926-1
0.219
BRU-THA-01b12488-1
0.219
ADA-UCB-dc2b944c-13
0.219
MAT-POS-8a69d52e-6
0.219
EDJ-MED-e4b030d8-11
0.219
MAK-UNK-f203cb68-15
0.219
MAR-TRE-c8530538-49
0.219
EDG-MED-0da5ad92-12
0.218
MAR-TRE-a9136c7b-66
0.218
MAR-TRE-87acfbcc-41
0.218
VLA-UCB-53bdeed6-3
0.218
NAU-LAT-356bd3c2-3
0.217