Molecular Properties | |
SMILES: | N#Cc1cccc(CCc2ccnc(C3CCCN(C(=O)CCl)C3)c2)c1 |
MW: | 367.88 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 56.99 |
cLogP: | 3.68328 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
WAR-XCH-bdd24732-20
0.571
MAK-UNK-10dfa458-40
0.404
SAD-SAT-c989feaa-2
0.394
MAT-POS-ee51dedd-1
0.386
TAT-ENA-80bfd3e5-13
0.358
AAR-POS-d2a4d1df-30
0.358
TAT-ENA-80bfd3e5-10
0.358
SEA-TRI-f744d433-1
0.349
IND-SYN-6c8299e8-1
0.347
MAK-UNK-10dfa458-41
0.347
MAK-UNK-849bee6c-9
0.343
MAK-UNK-10dfa458-42
0.330
MAK-UNK-6c8f5f75-2
0.329
MAK-UNK-849bee6c-8
0.327
HAR-NEW-972ef1cc-1
0.324
SEL-UNI-49ab05bd-4
0.314
PAU-WEI-b9b69149-4
0.314
PAT-UNK-b2d83456-1
0.311
NIR-THE-c331be7a-2
0.310
DAN-MCD-02570321-1
0.310
SAD-SAT-24589cd1-9
0.306
HAR-NEW-972ef1cc-2
0.304
DAR-DIA-3e9bbd81-11
0.303
VIK-SYN-9a3d118a-8
0.302
MAK-UNK-849bee6c-6
0.299
SAD-SAT-24589cd1-10
0.297
SEA-TRI-f93fcab4-1
0.296
STE-KUL-2e0d2e88-6
0.296
WAR-XCH-bdd24732-22
0.296
WAR-XCH-bdd24732-16
0.295
STE-KUL-2e0d2e88-4
0.294
PAU-WEI-b9b69149-6
0.294
SEL-UNI-49ab05bd-6
0.292
MAK-UNK-6ca90168-14
0.292
DRR-IMP-38dce17f-7
0.292
NIR-THE-0d6461ce-7
0.291
PAU-UNI-b33c5197-1
0.289
MAK-UNK-849bee6c-17
0.288
MIC-UNK-df342a3f-2
0.288
PAU-WEI-b9b69149-5
0.286
SEL-UNI-49ab05bd-7
0.286
MIC-UNK-e8a42ca9-2
0.286
MIC-UNK-df342a3f-1
0.282
MED-COV-4280ac29-34
0.281
NIR-THE-0d6461ce-6
0.279
STE-KUL-2e0d2e88-5
0.279
MIC-UNK-e8a42ca9-1
0.278
PAU-UNI-b6a619a1-1
0.278
DAR-DIA-3e9bbd81-7
0.278
MAK-UNK-748f8b7a-6
0.277
MAK-UNK-849bee6c-5
0.275
MAK-UNK-ec98eaf6-51
0.272
SAD-SAT-65574d3f-6
0.271
TRY-UNI-9f475305-6
0.270
AVI-UNI-70b60925-1
0.270
SAD-SAT-24589cd1-5
0.270
MAK-UNK-849bee6c-7
0.269
MAR-TRE-6a44bbf2-9
0.268
NIM-UNI-310206f0-35
0.267
NIM-UNI-310206f0-21
0.267
MAK-UNK-849bee6c-16
0.266
MAK-UNK-849bee6c-4
0.266
MAK-UNK-849bee6c-13
0.265
MAK-UNK-849bee6c-3
0.265
SAD-SAT-24589cd1-6
0.265
ANN-UNI-26382800-5
0.265
SAD-SAT-edc8a235-7
0.265
PAU-WEI-c6d65c11-1
0.264
SAD-SAT-c989feaa-1
0.264
MAK-UNK-849bee6c-15
0.263
DAN-LON-a5fc619e-1
0.263
TAM-UNI-d1c3dd9f-18
0.262
TAM-UNI-d1c3dd9f-17
0.262
MAR-TRE-14ce9fd6-10
0.261
MAR-TRE-14ce9fd6-31
0.260
AAR-UNI-c25c2f1e-56
0.260
SAD-SAT-c989feaa-5
0.260
SAD-SAT-c989feaa-10
0.260
DAR-DIA-fb20be43-3
0.260
FAB-UNK-03d90bbc-1
0.259
FAB-NA_-a03f4448-1
0.259
FAB-UNK-7ad5ab26-1
0.259
MAK-UNK-849bee6c-14
0.259
DAR-DIA-caba39e3-12
0.258
MAK-UNK-10dfa458-39
0.258
JOH-UNI-0e1753c1-5
0.257
DAR-DIA-fb20be43-6
0.257
SAD-SAT-24589cd1-1
0.257
SAD-SAT-24589cd1-3
0.257
DAN-LON-a5fc619e-3
0.257
THO-SYG-4e0386bb-3
0.257
MAK-UNK-ec98eaf6-53
0.256
TAM-UNI-d1c3dd9f-16
0.255
TRY-UNI-714a760b-20
0.255
DAN-LON-a5fc619e-6
0.255
STU-CHA-0be58c98-1
0.255
SAD-SAT-c989feaa-8
0.255
MAK-UNK-849bee6c-12
0.255
MAK-UNK-ec98eaf6-40
0.255
MAR-TRE-14ce9fd6-16
0.255