Molecular Properties | |
SMILES: | O=C(CCl)N1C[C@@]2(c3cccc(Cl)c3)CC1c1c(OCCN3CCOCC3)cccc12 |
MW: | 460.13 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 42.01 |
cLogP: | 3.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SEA-TRI-fac72a44-1
0.427
MAK-UNK-10799360-23
0.390
SEA-TRI-078a8df3-1
0.388
SEA-TRI-67e8f1c7-1
0.385
MAK-UNK-ec98eaf6-39
0.374
MAK-UNK-ec98eaf6-42
0.361
SEA-TRI-38830027-1
0.355
MAK-UNK-ec98eaf6-40
0.348
MAK-UNK-3f402c2b-23
0.324
MAK-UNK-ec98eaf6-27
0.298
MED-COV-4280ac29-13
0.292
MED-COV-4280ac29-12
0.288
MAK-UNK-10799360-18
0.288
MAK-UNK-ec98eaf6-4
0.284
MAK-UNK-ec98eaf6-3
0.283
DAN-LON-a5fc619e-4
0.282
JOH-IMS-1436231f-6
0.281
AAR-POS-0daf6b7e-29
0.281
MED-COV-4280ac29-11
0.280
MAR-TRE-fd17a9b8-36
0.279
DAN-LON-a5fc619e-2
0.278
SEA-TRI-98d2cd42-1
0.272
DAN-LON-a5fc619e-5
0.272
EDJ-MED-dfa1d800-2
0.271
DAR-DIA-43a5904b-16
0.271
BAR-COM-4e090d3a-54
0.268
MED-COV-4280ac29-2
0.267
DAN-LON-a5fc619e-10
0.265
MAR-TRE-a3327163-4
0.261
JOR-UNI-2fc98d0b-6
0.260
DAN-LON-a5fc619e-8
0.259
DAN-LON-a5fc619e-9
0.259
DAN-LON-a5fc619e-6
0.259
NIM-UNI-13494739-5
0.259
MAK-UNK-10799360-10
0.256
STU-CHA-6d5cfe2b-1
0.254
AAR-POS-0daf6b7e-28
0.253
JOH-UNI-0e1753c1-3
0.252
HYO-UNK-49a60884-1
0.252
AAR-POS-d2a4d1df-35
0.252
MED-COV-4280ac29-15
0.252
MAK-UNK-10799360-31
0.252
MAR-TRE-a3327163-23
0.250
DAR-DIA-6a49afbe-5
0.250
MAK-UNK-ec98eaf6-41
0.250
WIL-LEE-1f71e281-4
0.250
JOH-UNI-0e1753c1-1
0.250
MAK-UNK-10799360-12
0.248
STU-CHA-6cae54d3-1
0.248
JOR-UNI-2fc98d0b-9
0.246
DAN-LON-a5fc619e-7
0.246
MAK-UNK-ec98eaf6-45
0.246
SAD-SAT-65574d3f-9
0.245
JOR-UNI-2fc98d0b-1
0.244
NAU-LAT-e1818702-5
0.244
SAD-SAT-c989feaa-3
0.243
MAR-TRE-6a44bbf2-99
0.243
DAN-LON-a5fc619e-1
0.243
MED-COV-4280ac29-32
0.243
AVI-UNI-70b60925-1
0.242
SAD-SAT-c989feaa-5
0.241
MAK-UNK-10799360-36
0.241
PET-UNK-f92d7c0c-7
0.241
MAR-LAB-ca4662a6-5
0.241
MAT-POS-90fd5f68-14
0.241
UNK-UNK-2ede4078-58
0.240
MAK-UNK-10dfa458-42
0.240
DAN-LON-a5fc619e-3
0.239
JOH-UNI-0e1753c1-5
0.239
MED-COV-4280ac29-7
0.239
MAR-TRE-fd17a9b8-68
0.239
PET-UNK-f92d7c0c-6
0.239
PET-UNK-f92d7c0c-1
0.239
EDG-MED-90036822-14
0.238
MED-COV-4280ac29-6
0.238
SAD-SAT-7d5528d9-6
0.238
EDJ-MED-7bb79bc5-1
0.238
DAR-DIA-3e9bbd81-3
0.237
MAK-UNK-ec98eaf6-6
0.237
MAR-TRE-04c86cea-78
0.237
PET-UNK-f92d7c0c-3
0.236
MAK-UNK-10799360-19
0.236
JOH-UNI-23d9e1b1-1
0.236
MAK-UNK-6ca90168-13
0.236
MAK-UNK-10799360-33
0.236
TAM-UNI-d1c3dd9f-12
0.235
MAK-UNK-ec98eaf6-44
0.235
STU-CHA-7b3b91d5-1
0.234
DAR-DIA-3e9bbd81-12
0.234
GIA-UNK-7337c2f3-2
0.234
MAK-UNK-3c359d2a-1
0.234
MAK-UNK-176ca439-4
0.234
MAK-UNK-ec98eaf6-46
0.233
WAR-XCH-72a8c209-1
0.233
DAR-DIA-3e9bbd81-14
0.233
MED-COV-4280ac29-18
0.232
SAD-SAT-b55127ae-1
0.231
MAK-UNK-ec98eaf6-1
0.231
SAD-SAT-c989feaa-10
0.231
MAR-TRE-3e4e6814-25
0.231