Molecular Properties | |
SMILES: | C=CC(=O)N[C@@H](C(=O)Nc1cc(C#N)cnc1NCC)c1c(F)[nH]c2ncccc12 |
MW: | 407.409 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 135.59 |
cLogP: | 2.38248 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
Dipeptide
SID-ELM-433ea7f3-3
0.615
SID-ELM-433ea7f3-2
0.543
SID-ELM-433ea7f3-1
0.539
JOR-UNI-61e7b1d5-1
0.455
TRY-UNI-1fd04853-2
0.412
PET-SGC-0f1d26ed-1
0.400
JOR-UNI-61e7b1d5-27
0.320
SAD-SAT-cefd50cc-10
0.318
JOR-UNI-61e7b1d5-13
0.317
JOR-UNI-61e7b1d5-8
0.311
GAB-REV-df64cf17-18
0.310
JOR-UNI-61e7b1d5-11
0.308
JOR-UNI-61e7b1d5-17
0.305
MAK-UNK-516d8086-18
0.304
JOR-UNI-61e7b1d5-4
0.304
NIM-UNI-bb9030bf-4
0.304
NIR-THE-0d6461ce-7
0.304
JOR-UNI-61e7b1d5-21
0.301
JOR-UNI-61e7b1d5-23
0.299
DAR-DIA-23aa0b97-10
0.298
GAB-REV-df64cf17-20
0.297
GAB-REV-df64cf17-22
0.296
JOR-UNI-61e7b1d5-15
0.294
JOR-UNI-61e7b1d5-19
0.294
TRY-UNI-1fd04853-1
0.292
PET-SGC-175e168c-1
0.292
GAB-REV-df64cf17-13
0.292
JOR-UNI-61e7b1d5-6
0.291
JOR-UNI-61e7b1d5-29
0.291
MAK-UNK-148caf23-4
0.291
JOR-UNI-61e7b1d5-31
0.289
BEN-DND-61647d40-7
0.287
NIM-UNI-bb9030bf-6
0.286
ANT-DIA-3c79be55-3
0.286
JOR-UNI-61e7b1d5-25
0.285
GAB-REV-df64cf17-2
0.284
GAB-REV-df64cf17-6
0.280
GAB-REV-df64cf17-9
0.277
MAK-UNK-51bb34f9-2
0.276
GAB-REV-df64cf17-10
0.275
NIM-UNI-bb9030bf-3
0.274
DAR-DIA-23aa0b97-2
0.274
NIM-UNI-bb9030bf-5
0.272
JAN-UNI-2e92c4b1-4
0.271
RAL-MED-9a5eb9cb-7
0.270
NIR-THE-0d6461ce-6
0.270
NIM-UNI-bb9030bf-2
0.267
DAR-DIA-23aa0b97-11
0.267
MAK-UNK-ec98eaf6-15
0.267
NIM-UNI-bb9030bf-8
0.267
NIM-UNI-bb9030bf-14
0.265
JAN-GHE-fd8d85a5-4
0.265
NIM-UNI-bb9030bf-16
0.263
NIM-UNI-bb9030bf-7
0.262
MED-COV-4280ac29-34
0.262
GAB-REV-df64cf17-8
0.261
NIM-UNI-bb9030bf-1
0.259
MAK-UNK-516d8086-7
0.259
THO-SYG-cc9e9a11-7
0.258
PET-SGC-0f1d26ed-2
0.257
TRY-UNI-1fd04853-6
0.256
JAN-GHE-fd8d85a5-1
0.255
NIM-UNI-bb9030bf-13
0.254
NIM-UNI-bb9030bf-11
0.254
NIM-UNI-bb9030bf-12
0.254
LIZ-THE-7023c732-2
0.252
MAK-UNK-ec98eaf6-22
0.252
MAK-UNK-516d8086-13
0.252
GAB-REV-df64cf17-14
0.252
THO-SYG-cc9e9a11-8
0.252
MIC-UNK-2744a8e2-2
0.250
GAB-REV-df64cf17-21
0.250
NIM-UNI-bb9030bf-10
0.250
WAR-XCH-6eb0722e-3
0.250
GAB-REV-df64cf17-1
0.250
MAK-UNK-51bb34f9-3
0.250
DAR-DIA-2b784ede-52
0.248
GAB-REV-df64cf17-7
0.248
WAR-XCH-6eb0722e-1
0.248
MAK-UNK-ec98eaf6-37
0.248
BEN-DND-362d364a-3
0.246
DAR-DIA-2b784ede-42
0.246
TRY-UNI-1fd04853-12
0.246
DAR-DIA-23aa0b97-1
0.246
JAN-GHE-fd8d85a5-5
0.246
SID-ELM-1f105489-3
0.246
SID-ELM-1f105489-12
0.246
BRU-LEF-ae0885ba-1
0.246
PAU-UNI-52c0427f-1
0.246
DAR-DIA-fb20be43-4
0.246
MAR-TRE-c317dd82-42
0.246
GAB-REV-df64cf17-17
0.246
DAR-DIA-23aa0b97-17
0.245
TAM-UNI-c140e31a-19
0.245
PET-SGC-90aed325-1
0.245
BEN-DND-362d364a-6
0.245
PAU-WEI-f734c343-3
0.244
TRY-UNI-1fd04853-3
0.244
NIM-UNI-bb9030bf-9
0.244
TRY-UNI-714a760b-22
0.243