Molecular Properties | |
SMILES: | Cc1ccncc1C1C(=O)N(c2cccc(C#N)c2)CCN1C(=O)CCl |
MW: | 368.1 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 77.3 |
cLogP: | 2.42 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MIC-UNK-df342a3f-1
0.647
EDJ-MED-e66f2cc5-2
0.400
MIC-UNK-e8a42ca9-1
0.390
MIC-UNK-e8a42ca9-2
0.388
JAG-UCB-cedd89ab-1
0.330
GAB-REV-70cc3ca5-19
0.320
PET-UNK-5eca9d1d-3
0.320
MIC-UNK-1e397c67-1
0.318
MIC-UNK-2744a8e2-13
0.318
TRY-UNI-714a760b-20
0.309
MIC-UNK-2744a8e2-1
0.309
MAK-UNK-10dfa458-42
0.308
EDJ-MED-49816e9b-6
0.306
TAT-ENA-80bfd3e5-10
0.306
MIC-UNK-2744a8e2-3
0.306
TRY-UNI-714a760b-24
0.302
MAT-POS-ee51dedd-1
0.301
TRY-UNI-9f475305-12
0.298
MIC-UNK-2744a8e2-5
0.297
DAR-DIA-3e9bbd81-11
0.293
MAK-UNK-ec98eaf6-53
0.292
MAK-UNK-10dfa458-40
0.292
ALP-POS-95b75b4d-12
0.291
TRY-UNI-714a760b-22
0.290
WAR-XCH-bdd24732-19
0.288
MIH-UNI-e573136b-13
0.288
DAR-DIA-fb20be43-3
0.287
BEN-VAN-5787f7d3-10
0.287
MAK-UNK-ec98eaf6-51
0.286
ADA-UCB-6c2cb422-7
0.286
PAU-WEI-b9b69149-6
0.284
MIH-UNI-e573136b-3
0.283
MIC-UNK-2744a8e2-2
0.283
MAK-UNK-10dfa458-41
0.283
SAD-SAT-c989feaa-2
0.280
DAR-DIA-3e9bbd81-7
0.280
MAK-UNK-ec98eaf6-40
0.280
PAU-WEI-b9b69149-4
0.280
NIM-UNI-310206f0-21
0.280
NIM-UNI-310206f0-35
0.280
MIC-UNK-2744a8e2-4
0.279
ADA-UCB-6c2cb422-6
0.279
MIC-UNK-2744a8e2-9
0.278
TAM-UNI-d1c3dd9f-18
0.277
FAB-UNK-7ad5ab26-2
0.277
JOR-UNI-61e7b1d5-14
0.277
ADA-UCB-6c2cb422-5
0.276
MIC-UNK-2744a8e2-14
0.276
EMI-TUK-6c6b371f-1
0.276
EMI-TUK-b780fc43-1
0.276
AAR-UNI-c25c2f1e-61
0.275
ERI-UCB-ce40166b-24
0.275
NIR-THE-c331be7a-2
0.275
TRY-UNI-9f475305-1
0.274
MIC-UNK-2744a8e2-8
0.274
SAD-SAT-24589cd1-9
0.274
MAK-UNK-af83ef51-23
0.274
BEN-DND-6de5dfa0-16
0.273
NIR-THE-b7e8e081-2
0.273
DAV-CRI-8c8dd668-1
0.272
MIC-UNK-2744a8e2-6
0.272
JOR-UNI-61e7b1d5-22
0.272
BAR-COM-ebf5acce-13
0.270
DAV-CRI-1c77f7a9-5
0.270
BEN-VAN-5787f7d3-11
0.270
MIC-UNK-2744a8e2-12
0.270
MAK-UNK-849bee6c-9
0.269
NIR-THE-0d6461ce-7
0.269
MAK-UNK-ec98eaf6-21
0.269
TRY-UNI-9f475305-9
0.268
MAK-UNK-748f8b7a-6
0.268
JOR-UNI-61e7b1d5-12
0.268
TRY-UNI-714a760b-23
0.267
MIC-UNK-2744a8e2-7
0.267
DAN-MCD-02570321-1
0.267
SAD-SAT-7d5528d9-7
0.266
JOR-UNI-61e7b1d5-28
0.265
JOR-UNI-61e7b1d5-5
0.265
TAM-UNI-d1c3dd9f-17
0.265
VLA-UCB-1dbca3b4-4
0.265
MAR-TRE-6a44bbf2-99
0.265
TRY-UNI-1fd04853-3
0.264
MAK-UNK-7a704a63-10
0.263
LON-WEI-8f408cad-1
0.263
MIC-UNK-2744a8e2-11
0.263
AAR-POS-0daf6b7e-11
0.263
MAK-UNK-af83ef51-24
0.263
PET-UNK-bbe8d7ff-2
0.262
PET-UNK-bbe8d7ff-1
0.262
EDJ-MED-e66f2cc5-1
0.262
DAR-DIA-5a24bef0-16
0.262
DAR-DIA-5a24bef0-14
0.262
DAR-DIA-5a24bef0-15
0.262
THO-SYG-f9b2970d-1
0.262
JOR-UNI-61e7b1d5-9
0.262
KIM-UNI-60f168f5-2
0.261
BEN-VAN-5787f7d3-12
0.261
MAK-UNK-ec98eaf6-52
0.261
MAK-UNK-c8c8f7e2-6
0.260
MAT-POS-590ac91e-15
0.260