Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1cc2[nH]c3ccc(Cl)cc3c2nn1 |
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-12
0.574
MAK-UNK-0d6072ac-11
0.522
MAK-UNK-0d6072ac-34
0.514
MAK-UNK-0d6072ac-31
0.493
MAK-UNK-0d6072ac-10
0.472
MAK-UNK-0d6072ac-3
0.431
GER-UNI-ec786817-1
0.431
AAR-POS-fca48359-20
0.431
MAK-UNK-0d6072ac-4
0.431
AAR-POS-fca48359-19
0.431
MAK-UNK-0d6072ac-20
0.425
MAK-UNK-0d6072ac-22
0.425
MAK-UNK-0d6072ac-32
0.421
ALP-POS-4f3627cc-1
0.413
MAK-UNK-0d6072ac-21
0.413
MAK-UNK-0d6072ac-14
0.392
MAK-UNK-0d6072ac-26
0.360
MAK-UNK-0d6072ac-24
0.359
MAK-UNK-0d6072ac-25
0.359
MAK-UNK-0d6072ac-5
0.355
MAK-UNK-10dfa458-28
0.351
MAK-UNK-230cdef2-5
0.348
MAK-UNK-0d6072ac-38
0.342
MAK-UNK-0d6072ac-23
0.338
MAK-UNK-0d6072ac-13
0.338
MAK-UNK-0d6072ac-36
0.338
MAK-UNK-0d6072ac-37
0.325
MAK-UNK-230cdef2-8
0.322
MAK-UNK-230cdef2-9
0.315
MAK-UNK-0d6072ac-35
0.309
MAK-UNK-0d6072ac-9
0.309
MAR-UCB-195bc32d-11
0.304
MAK-UNK-0d6072ac-7
0.293
MAK-UNK-0d6072ac-8
0.293
SAN-PRS-3c4a6997-1
0.291
MAK-UNK-0d6072ac-28
0.286
MAK-UNK-0d6072ac-18
0.284
MAK-UNK-0d6072ac-17
0.277
MAK-UNK-0d6072ac-30
0.277
GAB-REV-70cc3ca5-16
0.276
MAK-UNK-0d6072ac-19
0.275
AAR-POS-fca48359-18
0.275
MAK-UNK-230cdef2-4
0.272
MAT-POS-590ac91e-43
0.268
MAT-POS-590ac91e-42
0.268
MAK-UNK-230cdef2-2
0.268
MAK-UNK-230cdef2-7
0.268
MAK-UNK-0d6072ac-29
0.267
MAK-UNK-0d6072ac-27
0.265
MAK-UNK-230cdef2-1
0.264
MAT-POS-590ac91e-58
0.263
MAK-UNK-10dfa458-34
0.262
MAT-POS-590ac91e-66
0.258
MAK-UNK-0d6072ac-1
0.256
MAK-UNK-10dfa458-33
0.256
MAK-UNK-10dfa458-37
0.256
MAK-UNK-0d6072ac-16
0.253
MAT-POS-590ac91e-54
0.245
MAT-POS-590ac91e-70
0.242
MAK-UNK-230cdef2-6
0.240
MAR-TRE-fd17a9b8-32
0.240
DAR-DIA-eace69ff-37
0.240
MAK-UNK-230cdef2-3
0.234
MAT-POS-590ac91e-51
0.233
MAK-UNK-0d6072ac-2
0.232
LON-WEI-1908424e-9
0.232
MAR-TRE-fd17a9b8-41
0.231
MAT-POS-590ac91e-55
0.229
MAK-UNK-230cdef2-10
0.229
MAT-POS-590ac91e-53
0.223
MAR-TRE-8190bb11-88
0.222
MAR-TRE-fd17a9b8-1
0.217
MAK-UNK-f203cb68-15
0.213
ROB-UNI-b2e39629-9
0.211
JOH-UNI-f0df842c-1
0.211
UNK-UNK-2ede4078-16
0.208
EVA-UNK-a6bd3264-1
0.208
MAR-TRE-87acfbcc-38
0.208
MAR-TRE-3724962b-1
0.207
MAR-TRE-67513f76-54
0.206
EDJ-MED-edeb0d3a-2
0.204
MAT-POS-3b536971-1
0.204
MAT-POS-54c4bf04-4
0.204
ALP-POS-05819dc4-1
0.204
DAR-DIA-1a77c53a-5
0.203
DAR-DIA-1a77c53a-6
0.203
DAV-CRI-3edb475e-3
0.203
MAR-TRE-87acfbcc-7
0.203
MAR-TRE-87acfbcc-22
0.202
NAU-LAT-356bd3c2-2
0.202
JAG-UCB-ef2c0e8e-6
0.202
MAT-POS-3b92565d-4
0.202
MAT-POS-e1b5ac6b-2
0.202
TRY-UNI-9f475305-8
0.202
BEN-DND-b89db3f2-5
0.202
EDJ-MED-edeb0d3a-3
0.202
EDJ-MED-edeb0d3a-1
0.202
PET-UNK-7fb4f80a-4
0.202
MAR-TRE-87acfbcc-79
0.200
MAR-TRE-be9ff7d2-61
0.200