Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2cccc3ccccc23)CC1Cc1cccnc1 |
MW: | 393.918 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 36.44 |
cLogP: | 3.7291 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MIH-UNI-e573136b-2
0.622
AAR-POS-d2a4d1df-40
0.488
MED-COV-4280ac29-31
0.488
MIH-UNI-e573136b-1
0.477
NIM-UNI-363644a0-1
0.431
MAK-UNK-3f402c2b-14
0.424
DAN-LON-a5fc619e-10
0.419
JOO-IND-6372a4f3-6
0.391
JOO-IND-6372a4f3-4
0.389
MED-COV-4280ac29-2
0.388
JOO-IND-6372a4f3-5
0.387
SEA-TRI-8252c13b-1
0.364
NIM-UNI-363644a0-2
0.358
DRR-IMP-38dce17f-4
0.356
DAV-CRI-1c77f7a9-1
0.352
MAK-UNK-90d0606b-7
0.350
MAK-UNK-10799360-35
0.346
DAR-DIA-fb20be43-2
0.344
KRI-MAR-d2e3ef86-6
0.336
DAV-CRI-1c77f7a9-5
0.333
DAV-CRI-1c77f7a9-4
0.330
DAV-CRI-1c77f7a9-8
0.330
DAR-DIA-fb20be43-7
0.330
MIC-UNK-460e637d-3
0.327
DAR-DIA-fb20be43-8
0.327
PAU-UNI-19862c28-1
0.327
MED-COV-4280ac29-5
0.324
DAR-DIA-fb20be43-9
0.320
THO-SYG-f9b2970d-1
0.314
DAR-DIA-fb20be43-6
0.314
DAR-DIA-6a49afbe-4
0.310
MAK-UNK-ec98eaf6-26
0.309
DAR-DIA-3e9bbd81-1
0.308
MAK-UNK-10799360-14
0.303
MAK-UNK-e05327b2-8
0.303
THO-SYG-f9b2970d-3
0.302
MIH-UNI-e573136b-4
0.301
DAN-LON-a5fc619e-5
0.301
DAN-LON-a5fc619e-4
0.300
MIC-UNK-df342a3f-1
0.300
JAV-UNI-4503e1e6-1
0.299
MAK-UNK-ec98eaf6-24
0.299
MED-COV-4280ac29-13
0.299
MAK-UNK-5d2caa6f-11
0.298
BOG-INS-01af3fef-1
0.295
MAR-TRE-b77b7921-50
0.295
STE-KUL-2e0d2e88-2
0.294
PAU-UNI-b2b6b158-1
0.293
WAR-XCH-bdd24732-16
0.289
NIC-BIO-f814dd3d-1
0.289
WAR-XCH-b0339bbe-19
0.288
TAM-UNI-d1c3dd9f-20
0.284
DAR-DIA-3e9bbd81-2
0.284
MAK-UNK-5d2caa6f-1
0.284
JUL-TUD-06b2044f-52
0.283
MIC-UNK-df342a3f-2
0.283
THO-SYG-f9b2970d-2
0.283
MAK-UNK-5d2caa6f-9
0.282
MAR-TRE-c8530538-63
0.282
MAK-UNK-6ca90168-1
0.281
DAV-CRI-1c77f7a9-6
0.281
SAD-SAT-c989feaa-4
0.280
STE-KUL-2e0d2e88-3
0.280
SAD-SAT-b55127ae-4
0.280
MAK-UNK-7c9d1431-20
0.280
DAV-CRI-1c77f7a9-2
0.279
SAD-SAT-7d5528d9-35
0.279
AAR-UNI-c25c2f1e-99
0.279
JOO-PER-58e158bd-1
0.279
MIC-UNK-a28eba03-1
0.279
AVI-UNI-70b60925-1
0.277
AAR-POS-d2a4d1df-41
0.276
TAT-ENA-80bfd3e5-20
0.276
MAK-UNK-bae89c02-3
0.275
NAU-LAT-64f4b287-9
0.275
DUN-NEW-d8381160-1
0.275
MAR-TRE-fd17a9b8-44
0.274
DRR-IMP-38dce17f-3
0.273
MAK-UNK-7c9d1431-24
0.273
DRR-IMP-db50bf6e-4
0.273
MIC-UNK-a28eba03-2
0.273
CHA-MCP-85291e1d-7
0.272
MAK-UNK-987948f6-8
0.272
MED-COV-4280ac29-19
0.271
IAN-BAS-d38e7e67-1
0.271
THO-SYG-f9b2970d-4
0.271
MIC-UNK-460e637d-1
0.270
THO-SYG-f9b2970d-7
0.270
MED-COV-4280ac29-8
0.269
MED-COV-4280ac29-25
0.269
MIC-UNK-a28eba03-3
0.269
DUN-NEW-f8ce3686-5
0.269
DAR-DIA-8e329c92-9
0.269
JUL-TUD-06b2044f-78
0.268
NEH-REV-107bcf72-4
0.267
MIC-UNK-a28eba03-4
0.267
DRR-IMP-38dce17f-6
0.267
MAC-MCD-76766525-1
0.267
JUL-TUD-06b2044f-128
0.267
KEI-UNI-85a52787-9
0.266