Molecular Properties | |
SMILES: | C=CC(=O)N[C@@H](C(=O)Nc1cc(C#N)cnc1NCC)c1cc(N)cnc1F |
MW: | 383.387 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 4 |
Rotatable Bonds: | 7 |
TPSA: | 145.82 |
cLogP: | 1.48338 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
aniline
2-halopyridine
Dipeptide
SID-ELM-433ea7f3-1
0.656
SID-ELM-433ea7f3-3
0.569
SID-ELM-433ea7f3-4
0.543
PET-SGC-0f1d26ed-1
0.404
JOR-UNI-61e7b1d5-1
0.402
TRY-UNI-1fd04853-2
0.402
NIR-THE-0d6461ce-7
0.327
SAD-SAT-cefd50cc-10
0.305
MAK-UNK-516d8086-18
0.303
NIR-THE-0d6461ce-6
0.290
GAB-REV-df64cf17-13
0.290
TRY-UNI-1fd04853-1
0.290
PET-SGC-175e168c-1
0.290
PET-SGC-9a4d8c0f-1
0.287
JAN-GHE-fd8d85a5-1
0.287
GAB-REV-df64cf17-20
0.283
GAB-REV-df64cf17-22
0.282
JAN-UNI-2e92c4b1-4
0.280
GAB-REV-df64cf17-8
0.279
PET-SGC-90aed325-1
0.278
BEN-DND-362d364a-6
0.278
JAN-UNI-2e92c4b1-5
0.277
GAB-REV-df64cf17-6
0.277
PAU-UNI-52c0427f-1
0.276
BRU-LEF-ae0885ba-1
0.276
JAN-GHE-fd8d85a5-5
0.276
DAR-DIA-fb20be43-4
0.276
JAN-GHE-fd8d85a5-4
0.274
GAB-REV-df64cf17-9
0.274
GAB-REV-df64cf17-18
0.273
GAB-REV-df64cf17-2
0.270
JAN-GHE-fd8d85a5-6
0.269
GAB-REV-df64cf17-1
0.269
MAK-UNK-ec98eaf6-37
0.265
PET-SGC-39d74636-2
0.265
JAN-UNI-2e92c4b1-3
0.265
PET-SGC-34dcf0dc-1
0.264
PAU-WEI-f734c343-3
0.261
PET-SGC-f147f0b6-1
0.260
MAK-UNK-148caf23-4
0.260
MAK-UNK-ec98eaf6-22
0.259
MED-COV-4280ac29-34
0.258
MIC-UNK-2744a8e2-2
0.257
JOR-UNI-61e7b1d5-23
0.256
MAK-UNK-516d8086-7
0.255
JOR-UNI-61e7b1d5-8
0.254
MAK-UNK-ec98eaf6-15
0.254
JOR-UNI-61e7b1d5-13
0.252
NIM-UNI-bb9030bf-4
0.250
SID-ELM-b654bfa2-1
0.250
GAB-REV-df64cf17-10
0.250
MIC-UNK-2744a8e2-8
0.250
JOR-UNI-61e7b1d5-6
0.248
GAB-REV-df64cf17-16
0.248
LIZ-THE-7023c732-2
0.248
JOR-UNI-61e7b1d5-27
0.246
MIC-UNK-2744a8e2-10
0.246
MIC-UNK-2744a8e2-3
0.246
JAN-GHE-fd8d85a5-11
0.243
BEN-DND-362d364a-3
0.242
MIC-UNK-2744a8e2-14
0.242
GAB-REV-df64cf17-17
0.241
DAR-DIA-23aa0b97-7
0.240
PET-SGC-0f1d26ed-2
0.240
JOR-UNI-61e7b1d5-4
0.240
JOR-UNI-61e7b1d5-15
0.240
MIC-UNK-2744a8e2-11
0.240
MAK-UNK-516d8086-5
0.239
MAK-UNK-516d8086-20
0.237
BEN-VAN-d2b455e2-2
0.237
BEN-DND-61647d40-7
0.236
JOR-UNI-61e7b1d5-21
0.236
MIC-UNK-2744a8e2-12
0.236
GAB-REV-df64cf17-19
0.235
MAK-UNK-516d8086-3
0.235
DAR-DIA-23aa0b97-9
0.235
GAB-REV-df64cf17-21
0.234
TRY-UNI-714a760b-21
0.234
DAR-DIA-23aa0b97-3
0.234
GAB-REV-df64cf17-7
0.233
THO-SYG-cc9e9a11-7
0.233
SID-ELM-b654bfa2-21
0.233
NIM-UNI-bb9030bf-6
0.233
BEN-VAN-d2b455e2-1
0.233
JOR-UNI-61e7b1d5-17
0.233
JOR-UNI-61e7b1d5-25
0.233
THO-SYG-98fc3427-7
0.233
GAB-REV-df64cf17-15
0.232
NIM-UNI-bb9030bf-16
0.232
MAK-UNK-51bb34f9-2
0.231
BEN-VAN-d2b455e2-13
0.231
LON-WEI-babf2c61-14
0.231
MAK-UNK-516d8086-25
0.231
THO-SYG-98fc3427-6
0.231
JOR-UNI-61e7b1d5-19
0.230
THO-SYG-98fc3427-4
0.230
JOR-UNI-61e7b1d5-11
0.230
TRY-UNI-714a760b-23
0.229
JOR-UNI-61e7b1d5-29
0.228
BAR-COM-0f94fc3d-45
0.228