Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ncc2c(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-10
0.543
MAK-UNK-0d6072ac-34
0.500
MAK-UNK-0d6072ac-11
0.486
MAK-UNK-0d6072ac-31
0.480
MAK-UNK-0d6072ac-4
0.438
AAR-POS-fca48359-19
0.438
MAK-UNK-0d6072ac-3
0.438
GER-UNI-ec786817-1
0.438
AAR-POS-fca48359-20
0.438
MAK-UNK-0d6072ac-20
0.432
MAK-UNK-0d6072ac-33
0.421
MAK-UNK-0d6072ac-12
0.416
MAK-UNK-0d6072ac-22
0.413
MAK-UNK-0d6072ac-21
0.385
ALP-POS-4f3627cc-1
0.385
MAK-UNK-0d6072ac-14
0.382
MAK-UNK-0d6072ac-26
0.368
MAK-UNK-0d6072ac-24
0.367
MAK-UNK-0d6072ac-25
0.367
MAK-UNK-0d6072ac-5
0.364
MAK-UNK-0d6072ac-36
0.362
MAK-UNK-10dfa458-28
0.359
MAK-UNK-230cdef2-5
0.355
MAK-UNK-0d6072ac-8
0.350
MAK-UNK-0d6072ac-38
0.333
MAK-UNK-0d6072ac-19
0.333
AAR-POS-fca48359-18
0.333
MAK-UNK-0d6072ac-7
0.333
MAK-UNK-230cdef2-8
0.330
MAK-UNK-0d6072ac-23
0.329
MAK-UNK-0d6072ac-13
0.329
MAK-UNK-0d6072ac-37
0.317
MAK-UNK-230cdef2-9
0.309
MAK-UNK-0d6072ac-29
0.306
MAK-UNK-0d6072ac-35
0.286
MAK-UNK-0d6072ac-9
0.286
MAK-UNK-0d6072ac-30
0.286
MAK-UNK-230cdef2-1
0.286
SAN-PRS-3c4a6997-1
0.284
MAK-UNK-230cdef2-4
0.280
MAK-UNK-0d6072ac-28
0.279
MAK-UNK-0d6072ac-27
0.274
MAT-POS-590ac91e-58
0.271
MAK-UNK-10dfa458-34
0.271
MAT-POS-590ac91e-66
0.265
MAK-UNK-0d6072ac-1
0.265
MAR-UCB-195bc32d-11
0.265
MAT-POS-590ac91e-42
0.263
MAK-UNK-230cdef2-2
0.263
MAK-UNK-0d6072ac-16
0.262
MAK-UNK-230cdef2-6
0.260
GAB-REV-70cc3ca5-16
0.257
MAK-UNK-0d6072ac-17
0.256
MAT-POS-590ac91e-53
0.252
MAK-UNK-10dfa458-33
0.250
MAR-TRE-be9ff7d2-61
0.250
MAK-UNK-10dfa458-37
0.250
MAT-POS-590ac91e-70
0.250
MAT-POS-590ac91e-43
0.250
MAK-UNK-230cdef2-7
0.250
MAK-UNK-0d6072ac-18
0.247
ALF-EVA-82cf4849-3
0.243
MAR-TRE-87acfbcc-36
0.237
MAR-TRE-fd17a9b8-32
0.235
MAR-TRE-a9136c7b-66
0.235
DAR-DIA-eace69ff-37
0.234
MAR-TRE-87acfbcc-38
0.234
MAR-TRE-3724962b-1
0.233
MAR-TRE-e82e6c98-20
0.233
MAR-TRE-66ac689e-64
0.231
MAR-TRE-8190bb11-88
0.231
MAT-POS-590ac91e-54
0.229
MAT-POS-590ac91e-51
0.229
MAR-TRE-87acfbcc-20
0.228
MAR-TRE-87acfbcc-7
0.228
MAR-TRE-87acfbcc-15
0.228
MAR-TRE-87acfbcc-79
0.227
MAR-TRE-fd17a9b8-41
0.226
MAR-TRE-87acfbcc-9
0.226
MAR-TRE-87acfbcc-22
0.226
MAK-UNK-0d6072ac-2
0.226
EDJ-MED-c8e7a002-9
0.226
MAR-TRE-87acfbcc-47
0.225
MAR-TRE-799db12b-79
0.225
MAT-POS-590ac91e-55
0.224
MAR-TRE-8190bb11-59
0.224
MAR-TRE-87acfbcc-35
0.224
MAR-TRE-85681e92-92
0.222
MAK-UNK-f203cb68-15
0.221
MAR-TRE-87acfbcc-41
0.221
JAN-GHE-83b26c96-7
0.220
JAN-GHE-83b26c96-6
0.220
MAR-TRE-6c5ef77a-54
0.220
MAR-TRE-87acfbcc-21
0.220
MAR-TRE-92684b97-32
0.219
MAR-TRE-799db12b-61
0.218
EDJ-MED-c3ea9889-5
0.218
DAR-DIA-0d514e7d-35
0.218
DAR-DIA-0d514e7d-34
0.218
EDG-MED-21720aac-1
0.217