Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1cnc2c(c1)[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-33
0.574
MAK-UNK-0d6072ac-38
0.551
MAK-UNK-0d6072ac-35
0.507
MAK-UNK-0d6072ac-31
0.507
MAK-UNK-0d6072ac-11
0.472
MAK-UNK-0d6072ac-21
0.466
ALP-POS-4f3627cc-1
0.466
MAK-UNK-0d6072ac-3
0.465
AAR-POS-fca48359-20
0.465
MAK-UNK-0d6072ac-4
0.465
GER-UNI-ec786817-1
0.465
AAR-POS-fca48359-19
0.465
MAK-UNK-0d6072ac-34
0.446
MAK-UNK-0d6072ac-32
0.416
MAK-UNK-0d6072ac-10
0.408
MAK-UNK-0d6072ac-22
0.400
MAK-UNK-0d6072ac-28
0.397
MAK-UNK-0d6072ac-7
0.390
MAK-UNK-0d6072ac-14
0.387
MAK-UNK-0d6072ac-20
0.382
MAK-UNK-0d6072ac-26
0.373
MAK-UNK-0d6072ac-24
0.372
MAK-UNK-0d6072ac-25
0.372
MAK-UNK-0d6072ac-5
0.368
MAK-UNK-10dfa458-28
0.364
MAK-UNK-0d6072ac-8
0.354
MAK-UNK-0d6072ac-9
0.354
MAK-UNK-0d6072ac-29
0.341
MAK-UNK-0d6072ac-19
0.338
AAR-POS-fca48359-18
0.338
MAK-UNK-10dfa458-34
0.321
MAK-UNK-0d6072ac-30
0.321
MAK-UNK-0d6072ac-36
0.317
MAK-UNK-0d6072ac-13
0.316
MAK-UNK-0d6072ac-23
0.316
MAK-UNK-230cdef2-5
0.316
MAK-UNK-0d6072ac-18
0.312
MAK-UNK-0d6072ac-27
0.309
MAK-UNK-0d6072ac-17
0.305
MAK-UNK-0d6072ac-1
0.300
MAK-UNK-10dfa458-33
0.298
MAK-UNK-10dfa458-37
0.298
MAK-UNK-0d6072ac-16
0.296
MAK-UNK-230cdef2-8
0.290
MAR-UCB-195bc32d-11
0.284
MAK-UNK-0d6072ac-37
0.274
SAN-PRS-3c4a6997-1
0.272
MAK-UNK-230cdef2-9
0.271
MAT-POS-590ac91e-66
0.268
MAT-POS-590ac91e-58
0.260
GAB-REV-70cc3ca5-16
0.260
MAK-UNK-0d6072ac-2
0.259
MAT-POS-590ac91e-43
0.253
MAT-POS-590ac91e-51
0.243
MAK-UNK-230cdef2-4
0.242
MAT-POS-590ac91e-42
0.240
MAK-UNK-230cdef2-2
0.240
MAK-UNK-230cdef2-7
0.240
MAT-POS-590ac91e-70
0.240
MAT-POS-590ac91e-55
0.238
EVA-UNK-a6bd3264-1
0.237
MAK-UNK-230cdef2-1
0.234
MAR-TRE-87acfbcc-22
0.229
MAR-TRE-fd17a9b8-32
0.225
MAR-TRE-3724962b-1
0.225
JAN-GHE-83b26c96-7
0.222
MAR-TRE-e82e6c98-20
0.221
DAR-DIA-eace69ff-37
0.221
MAT-POS-590ac91e-54
0.220
TRY-UNI-2eddb1ff-3
0.218
LON-WEI-1908424e-9
0.216
MAR-TRE-87acfbcc-7
0.215
MAR-TRE-fd17a9b8-1
0.215
MAK-UNK-230cdef2-6
0.215
MAK-UNK-230cdef2-10
0.215
MAK-UNK-2c1752f0-2
0.214
SID-ELM-8b394441-15
0.213
MAR-TRE-87acfbcc-79
0.213
MAK-UNK-f2409524-5
0.212
MAR-TRE-87acfbcc-35
0.212
MAR-TRE-8190bb11-59
0.212
MAR-TRE-d3c2bf0e-40
0.211
MAR-TRE-be9ff7d2-61
0.211
MAT-POS-590ac91e-53
0.211
LON-WEI-0a73fcb8-6
0.210
MAR-TRE-87acfbcc-42
0.209
MAR-TRE-f5c2d31c-88
0.209
MAR-TRE-a9136c7b-66
0.209
JAN-GHE-83b26c96-6
0.209
NAU-LAT-356bd3c2-9
0.209
MAR-TRE-92684b97-32
0.208
JOH-UNI-f0df842c-1
0.208
MAR-TRE-87acfbcc-41
0.208
MAR-TRE-87acfbcc-36
0.208
MAR-TRE-87acfbcc-21
0.207
MAR-TRE-799db12b-61
0.207
MAK-UNK-f203cb68-2
0.206
UNK-UNK-2ede4078-16
0.206
MAR-TRE-fd17a9b8-41
0.206
MAR-TRE-87acfbcc-38
0.205