Molecular Properties | |
SMILES: | N[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 |
MW: | 274.707 |
Fraction sp3: | 0.07 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 79.11 |
cLogP: | 3.0589 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
amino acid
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-3
0.678
AAR-POS-fca48359-20
0.678
MAK-UNK-0d6072ac-4
0.678
GER-UNI-ec786817-1
0.678
AAR-POS-fca48359-19
0.678
MAK-UNK-10dfa458-28
0.667
MAK-UNK-0d6072ac-14
0.623
MAK-UNK-0d6072ac-24
0.619
MAK-UNK-0d6072ac-5
0.597
MAK-UNK-0d6072ac-25
0.594
MAK-UNK-0d6072ac-23
0.523
MAK-UNK-0d6072ac-13
0.500
MAK-UNK-0d6072ac-11
0.464
MAK-UNK-0d6072ac-22
0.449
MAK-UNK-0d6072ac-1
0.414
MAK-UNK-0d6072ac-10
0.397
MAK-UNK-0d6072ac-20
0.389
MAK-UNK-0d6072ac-7
0.378
ALP-POS-4f3627cc-1
0.378
MAK-UNK-0d6072ac-21
0.378
MAK-UNK-0d6072ac-12
0.373
MAK-UNK-0d6072ac-16
0.370
MAK-UNK-0d6072ac-32
0.368
MAK-UNK-0d6072ac-33
0.360
MAK-UNK-0d6072ac-31
0.346
MAK-UNK-0d6072ac-8
0.342
MAK-UNK-0d6072ac-34
0.342
MAK-UNK-0d6072ac-27
0.329
MAK-UNK-0d6072ac-17
0.325
MAK-UNK-230cdef2-8
0.322
MAR-UCB-195bc32d-11
0.320
MAK-UNK-0d6072ac-9
0.308
MAK-UNK-230cdef2-9
0.300
MAK-UNK-0d6072ac-18
0.299
MAK-UNK-230cdef2-1
0.291
MAK-UNK-0d6072ac-19
0.289
AAR-POS-fca48359-18
0.289
SAN-PRS-3c4a6997-1
0.289
MAK-UNK-230cdef2-5
0.277
MAK-UNK-10dfa458-34
0.275
MAK-UNK-0d6072ac-30
0.275
MAK-UNK-0d6072ac-28
0.268
MAK-UNK-0d6072ac-29
0.265
MAT-POS-590ac91e-58
0.261
GAB-REV-70cc3ca5-16
0.260
MAK-UNK-230cdef2-4
0.256
MAK-UNK-10dfa458-33
0.253
MAK-UNK-10dfa458-37
0.253
MAK-UNK-230cdef2-2
0.253
MAK-UNK-230cdef2-7
0.253
MAR-TRE-fd17a9b8-32
0.250
MAK-UNK-0d6072ac-38
0.244
RYA-UNI-6f4cba40-1
0.244
MAK-UNK-0d6072ac-36
0.241
MAT-POS-590ac91e-42
0.240
MAT-POS-590ac91e-70
0.240
MAK-UNK-230cdef2-6
0.238
DAR-DIA-eace69ff-37
0.236
MAT-POS-590ac91e-51
0.230
MAT-POS-590ac91e-66
0.229
MAK-UNK-0d6072ac-35
0.229
MAK-UNK-0d6072ac-37
0.229
LON-WEI-1908424e-9
0.228
MAK-UNK-0d6072ac-2
0.228
MAT-POS-590ac91e-43
0.227
MAT-POS-590ac91e-55
0.225
MAR-TRE-fd17a9b8-1
0.225
MAK-UNK-5d2caa6f-14
0.222
LON-WEI-120e5cf5-9
0.221
MAR-TRE-fffca54f-61
0.221
MAR-TRE-e86a56b5-20
0.221
MAR-TRE-799db12b-61
0.220
WIL-UNI-d4749f31-4
0.219
MAR-TRE-8190bb11-88
0.218
EDJ-MED-8698005e-1
0.217
MAR-TRE-fd17a9b8-41
0.216
NAU-LAT-56d5284e-7
0.211
MAR-TRE-8190bb11-59
0.210
MAT-POS-590ac91e-53
0.209
ALP-POS-bea7b391-1
0.208
MAT-POS-590ac91e-54
0.208
MAK-UNK-f481d203-7
0.207
MAR-TRE-a9136c7b-66
0.207
MAR-TRE-66ac689e-82
0.207
MAR-TRE-9d18ae8c-92
0.207
WIL-UNI-1faa9b10-1
0.207
MAR-TRE-92684b97-32
0.207
MAR-TRE-6c5ef77a-54
0.205
MAR-TRE-799db12b-96
0.205
MAR-TRE-423310b6-31
0.205
MAR-TRE-3724962b-1
0.203
AAR-POS-0daf6b7e-10
0.203
MAR-UCB-195bc32d-4
0.203
MAK-UNK-919546f0-6
0.202
MAR-TRE-92684b97-72
0.202
ROB-UNI-daaf9793-1
0.202
MAT-POS-1f3f1a6f-1
0.202
MAT-POS-e1b5ac6b-1
0.202
MAR-LAB-ca4662a6-4
0.200
ASH-SAT-43770c7d-7
0.200