Molecular Properties | |
SMILES: | N#CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 |
MW: | 284.04 |
Fraction sp3: | 0.07 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 76.88 |
cLogP: | 3.67 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-0d6072ac-26
0.667
AAR-POS-fca48359-19
0.656
MAK-UNK-0d6072ac-4
0.656
AAR-POS-fca48359-20
0.656
MAK-UNK-0d6072ac-3
0.656
GER-UNI-ec786817-1
0.656
MAK-UNK-0d6072ac-14
0.603
MAK-UNK-0d6072ac-25
0.600
MAK-UNK-0d6072ac-5
0.578
MAK-UNK-0d6072ac-24
0.576
MAK-UNK-0d6072ac-13
0.485
MAK-UNK-0d6072ac-23
0.485
MAK-UNK-0d6072ac-22
0.437
MAK-UNK-0d6072ac-11
0.431
MAK-UNK-0d6072ac-1
0.403
MAK-UNK-0d6072ac-10
0.387
MAK-UNK-0d6072ac-20
0.378
ALP-POS-4f3627cc-1
0.368
MAK-UNK-0d6072ac-21
0.368
MAK-UNK-0d6072ac-7
0.368
MAK-UNK-0d6072ac-12
0.364
MAK-UNK-0d6072ac-16
0.360
MAK-UNK-0d6072ac-32
0.359
MAK-UNK-0d6072ac-33
0.351
MAK-UNK-0d6072ac-31
0.338
MAK-UNK-0d6072ac-34
0.333
MAK-UNK-0d6072ac-8
0.333
MAK-UNK-0d6072ac-17
0.316
MAK-UNK-0d6072ac-27
0.304
MAK-UNK-0d6072ac-9
0.300
MAK-UNK-10dfa458-34
0.300
MAK-UNK-230cdef2-8
0.300
MAK-UNK-230cdef2-1
0.299
MAR-UCB-195bc32d-11
0.295
MAK-UNK-230cdef2-9
0.293
MAK-UNK-0d6072ac-18
0.291
MAK-UNK-0d6072ac-19
0.282
SAN-PRS-3c4a6997-1
0.282
AAR-POS-fca48359-18
0.282
DAR-DIA-eace69ff-37
0.282
MAK-UNK-230cdef2-2
0.274
MAK-UNK-230cdef2-5
0.271
MAK-UNK-230cdef2-6
0.270
MAK-UNK-0d6072ac-30
0.268
MAR-TRE-6c5ef77a-54
0.263
MAK-UNK-0d6072ac-28
0.262
MAK-UNK-230cdef2-7
0.260
MAK-UNK-0d6072ac-29
0.259
MAT-POS-590ac91e-58
0.255
MAK-UNK-230cdef2-4
0.250
MAK-UNK-10dfa458-33
0.247
MAK-UNK-10dfa458-37
0.247
MAR-TRE-fd17a9b8-32
0.245
MAR-TRE-4f781e27-70
0.241
MAK-UNK-0d6072ac-38
0.238
MAT-POS-590ac91e-51
0.238
LON-WEI-1908424e-9
0.237
MAK-UNK-0d6072ac-36
0.235
MAT-POS-590ac91e-42
0.235
MAR-TRE-fd17a9b8-1
0.233
RIT-UNK-fa3975ff-1
0.231
GAB-REV-70cc3ca5-16
0.230
MAR-TRE-a9136c7b-48
0.229
MAT-POS-fce787c2-8
0.228
JOH-UNI-c7afdb96-1
0.227
MAT-POS-590ac91e-66
0.224
MAK-UNK-0d6072ac-37
0.224
MAK-UNK-0d6072ac-35
0.224
MAK-UNK-0d6072ac-2
0.222
MAT-POS-590ac91e-43
0.222
MAT-POS-590ac91e-70
0.222
MAT-POS-590ac91e-55
0.221
JOH-UNI-c7afdb96-4
0.217
WIL-UNI-d4749f31-4
0.214
MAR-TRE-799db12b-61
0.214
MAR-TRE-6c5ef77a-77
0.213
JOH-UNI-c7afdb96-5
0.212
MAR-TRE-e82e6c98-43
0.210
MAR-TRE-0fda4e82-37
0.210
MAR-TRE-92684b97-63
0.210
RYA-UNI-6f4cba40-1
0.209
CHR-SOS-7098f804-7
0.208
MAR-TRE-799db12b-91
0.207
DAN-RED-da448e80-9
0.207
MAT-POS-590ac91e-53
0.205
MAR-TRE-14ce9fd6-51
0.205
MAR-TRE-8190bb11-59
0.205
MAK-UNK-919546f0-7
0.205
LON-WEI-120e5cf5-9
0.204
ALP-POS-bea7b391-1
0.204
MAT-POS-590ac91e-54
0.204
MAK-UNK-230cdef2-3
0.204
MAR-TRE-a9136c7b-66
0.202
MAR-TRE-a3327163-3
0.202
MAR-TRE-9d18ae8c-92
0.202
MAR-TRE-799db12b-96
0.200
MAR-TRE-8190bb11-88
0.200
MAR-TRE-423310b6-82
0.200
PET-UNK-c671f938-2
0.200
MAR-TRE-3724962b-1
0.200