Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1nnc2c(n1)[nH]c1ccc(Cl)cc12 |
MW: | 276.683 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 91.76 |
cLogP: | 2.3476 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-31
0.557
MAK-UNK-0d6072ac-33
0.514
MAK-UNK-0d6072ac-32
0.500
MAK-UNK-0d6072ac-10
0.452
MAK-UNK-0d6072ac-12
0.446
MAK-UNK-0d6072ac-20
0.425
MAK-UNK-0d6072ac-21
0.413
ALP-POS-4f3627cc-1
0.413
GER-UNI-ec786817-1
0.411
AAR-POS-fca48359-19
0.411
MAK-UNK-0d6072ac-3
0.411
AAR-POS-fca48359-20
0.411
MAK-UNK-0d6072ac-4
0.411
MAK-UNK-0d6072ac-22
0.405
MAK-UNK-0d6072ac-11
0.400
MAK-UNK-0d6072ac-14
0.355
MAK-UNK-230cdef2-5
0.348
MAK-UNK-0d6072ac-26
0.342
MAK-UNK-0d6072ac-24
0.342
MAK-UNK-0d6072ac-25
0.342
MAK-UNK-0d6072ac-5
0.338
MAK-UNK-10dfa458-28
0.333
MAK-UNK-0d6072ac-8
0.325
MAK-UNK-0d6072ac-30
0.325
MAK-UNK-230cdef2-8
0.322
MAK-UNK-0d6072ac-36
0.321
MAK-UNK-0d6072ac-29
0.313
MAK-UNK-0d6072ac-27
0.312
MAK-UNK-0d6072ac-37
0.309
MAK-UNK-0d6072ac-38
0.309
SAN-PRS-3c4a6997-1
0.308
MAK-UNK-0d6072ac-13
0.304
MAR-UCB-195bc32d-11
0.304
MAK-UNK-0d6072ac-23
0.304
MAK-UNK-230cdef2-9
0.301
MAK-UNK-0d6072ac-7
0.293
MAK-UNK-0d6072ac-35
0.293
MAK-UNK-0d6072ac-9
0.293
MAK-UNK-0d6072ac-19
0.291
AAR-POS-fca48359-18
0.291
MAK-UNK-230cdef2-2
0.281
MAK-UNK-230cdef2-1
0.278
MAK-UNK-10dfa458-34
0.277
GAB-REV-70cc3ca5-16
0.276
MAK-UNK-230cdef2-4
0.272
MAK-UNK-0d6072ac-28
0.271
MAK-UNK-0d6072ac-18
0.268
MAT-POS-590ac91e-42
0.268
MAK-UNK-230cdef2-6
0.265
MAK-UNK-0d6072ac-17
0.262
DAR-DIA-eace69ff-37
0.257
MAK-UNK-0d6072ac-1
0.256
MAK-UNK-10dfa458-37
0.256
MAK-UNK-10dfa458-33
0.256
MAT-POS-590ac91e-43
0.255
MAK-UNK-230cdef2-7
0.255
MAK-UNK-0d6072ac-16
0.253
MAT-POS-590ac91e-58
0.250
MAT-POS-590ac91e-54
0.245
MAT-POS-590ac91e-66
0.245
LON-WEI-1908424e-9
0.245
MAR-TRE-a9136c7b-66
0.241
MAR-TRE-fd17a9b8-1
0.240
MAR-TRE-fd17a9b8-32
0.240
MAR-TRE-a78003aa-27
0.234
MAT-POS-590ac91e-51
0.233
MAK-UNK-0d6072ac-2
0.232
MAR-TRE-fd17a9b8-41
0.231
MAT-POS-590ac91e-70
0.230
DAR-DIA-5ff57136-16
0.229
MAT-POS-590ac91e-55
0.229
MAK-UNK-230cdef2-10
0.229
MAR-TRE-3724962b-1
0.227
MAT-POS-29385cc1-2
0.227
MAK-UNK-f203cb68-15
0.226
MAR-TRE-799db12b-61
0.224
MAR-TRE-e82e6c98-20
0.224
MAR-TRE-92684b97-32
0.223
ALP-POS-bea7b391-1
0.223
MAT-POS-590ac91e-53
0.223
MAR-TRE-8190bb11-88
0.222
MAK-UNK-230cdef2-3
0.222
MAT-POS-281d2ee9-1
0.222
MAT-POS-89e65850-3
0.220
SAM-UNK-2684b532-5
0.220
MAT-POS-e1b5ac6b-1
0.220
ROB-UNI-daaf9793-1
0.220
MAR-TRE-9d18ae8c-25
0.218
DAV-CRI-3edb475e-3
0.218
EDJ-MED-c8e7a002-16
0.217
ERI-UCB-ce40166b-20
0.216
ERI-UCB-ce40166b-18
0.216
MAR-TRE-87acfbcc-79
0.216
MAR-TRE-a9136c7b-91
0.216
ALP-POS-05819dc4-1
0.216
MAR-TRE-a78003aa-34
0.215
MAT-POS-bb423b95-7
0.215
MAT-POS-3b92565d-4
0.214
MAT-POS-e1b5ac6b-2
0.214
MAR-TRE-8190bb11-59
0.214