Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2ccc(Cl)s2)C[C@@H]1Cc1ccc(O)cc1 |
MW: | 399.343 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 43.78 |
cLogP: | 3.6014 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-2
0.618
DAN-LON-a5fc619e-10
0.487
AAR-POS-0daf6b7e-2
0.465
JOH-UNI-27ac80fd-29
0.395
MAK-UNK-3f402c2b-16
0.388
MIH-UNI-e573136b-3
0.364
DAN-LON-a5fc619e-4
0.345
NEH-REV-107bcf72-4
0.322
MAK-UNK-10799360-33
0.320
MED-COV-4280ac29-13
0.314
AAR-POS-0daf6b7e-12
0.312
JOH-UNI-27ac80fd-23
0.312
DAN-LON-a5fc619e-5
0.301
NIM-UNI-43fe0159-3
0.280
DAV-CRI-0207e898-1
0.280
MED-COV-4280ac29-25
0.280
AVI-UNI-70b60925-1
0.275
MAK-UNK-3f402c2b-21
0.273
MAK-UNK-987948f6-9
0.270
MAK-UNK-3f402c2b-24
0.270
MAK-UNK-987948f6-8
0.269
BOG-INS-d6bb07dc-1
0.269
AAR-POS-0daf6b7e-17
0.268
LON-WEI-8f408cad-5
0.268
NIM-UNI-ed9fc491-2
0.268
MED-COV-4280ac29-8
0.266
MAK-UNK-7c9d1431-29
0.266
SAD-SAT-c989feaa-4
0.264
JOH-UNI-27ac80fd-38
0.264
AVI-UNI-70b60925-2
0.263
SAD-SAT-581007d4-7
0.262
MAT-POS-2db6411e-2
0.262
MAR-TRE-6a44bbf2-54
0.261
MAK-UNK-7c9d1431-14
0.261
MAK-UNK-7c9d1431-16
0.261
SAD-SAT-2ceae68f-10
0.260
MAK-UNK-15efde89-1
0.259
MAK-UNK-df1a028e-6
0.258
SEL-UNI-cd366922-1
0.258
NIM-UNI-ed9fc491-1
0.258
MAK-UNK-e4a48a85-21
0.258
SAL-INS-1c7a5a55-12
0.257
MAK-UNK-ec98eaf6-2
0.257
AAR-POS-0daf6b7e-13
0.256
LON-WEI-8f408cad-7
0.256
MAK-UNK-212f693e-8
0.256
JOH-UNI-27ac80fd-28
0.256
AVI-UNI-c9bf710f-1
0.255
MAK-UNK-c74072e5-1
0.255
DRR-IMP-38dce17f-3
0.253
MAK-UNK-7c9d1431-24
0.253
DRR-IMP-38dce17f-7
0.253
MAK-UNK-6ca90168-14
0.253
SAD-SAT-581007d4-9
0.253
SAL-INS-1ea6d4ee-2
0.252
HYO-UNK-49a60884-1
0.250
JOH-UNI-0e1753c1-3
0.250
JOK-SYG-8934678c-1
0.250
MAK-UNK-3f402c2b-22
0.250
MAK-UNK-c74072e5-10
0.250
SAD-SAT-f2e2579e-3
0.250
MAR-TRE-e86a56b5-57
0.250
NIM-UNI-ed9fc491-4
0.250
JOH-UNI-27ac80fd-24
0.250
MED-COV-4280ac29-15
0.250
AAR-POS-d2a4d1df-35
0.250
AAR-POS-0daf6b7e-15
0.250
MAK-UNK-e05327b2-3
0.248
MAK-UNK-10799360-26
0.248
MAK-UNK-ec98eaf6-11
0.248
SAD-SAT-b55127ae-6
0.248
JOH-UNI-0e1753c1-5
0.247
DAN-LON-a5fc619e-3
0.247
MAK-UNK-e4a48a85-20
0.247
STE-KUL-2e0d2e88-7
0.247
MAK-UNK-10dfa458-39
0.247
DRR-IMP-38dce17f-6
0.247
PAU-UNI-8cdd41c7-1
0.247
MAR-TRE-e86a56b5-65
0.247
SAD-SAT-9a6c5cf3-3
0.245
MAK-UNK-c74072e5-2
0.245
SAL-INS-1c7a5a55-11
0.245
DAN-LON-a5fc619e-8
0.244
MED-COV-4280ac29-33
0.244
MAK-UNK-3f402c2b-7
0.244
MAR-TRE-e86a56b5-6
0.244
NEH-REV-107bcf72-5
0.244
MIH-UNI-e573136b-2
0.243
MAK-UNK-ec98eaf6-45
0.242
MAK-UNK-df1a028e-8
0.241
MAK-UNK-e05327b2-2
0.241
NIC-BIO-f814dd3d-1
0.241
MAK-UNK-ec98eaf6-46
0.240
MAK-UNK-ec98eaf6-14
0.240
SAD-SAT-6b5a89f0-2
0.239
NIM-UNI-43fe0159-10
0.239
MAR-TRE-6a44bbf2-39
0.239
AAR-POS-d2a4d1df-33
0.239
MAK-UNK-7c9d1431-21
0.239
MAK-UNK-af83ef51-2
0.239