Molecular Properties | |
SMILES: | CC(C)c1coc(N2CCN(C(=O)CCl)CC2)n1 |
MW: | 271.748 |
Fraction sp3: | 0.67 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.58 |
cLogP: | 1.6854 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
VIK-SYN-9a3d118a-2
1.000
MAR-TRE-6a44bbf2-41
0.433
MAR-TRE-6a44bbf2-87
0.393
VIK-SYN-bf9c9ac8-7
0.393
VIK-SYN-9a3d118a-4
0.393
AAR-POS-0daf6b7e-18
0.391
SAD-SAT-1b030f84-9
0.375
MAR-TRE-6a44bbf2-29
0.371
MAK-UNK-6ca90168-10
0.369
SAD-SAT-65574d3f-9
0.369
SAD-SAT-5b1897b2-3
0.369
SAD-SAT-5b1897b2-1
0.369
MAT-POS-162a9720-4
0.365
SAD-SAT-5b1897b2-4
0.364
SAD-SAT-3a925b8b-4
0.359
AAR-POS-0daf6b7e-21
0.358
NIM-UNI-310206f0-6
0.358
MAT-POS-162a9720-2
0.357
NIL-NON-a189c016-1
0.357
YOI-UNK-15f562e8-4
0.356
VIK-SYN-bf9c9ac8-1
0.356
SAD-SAT-5b1897b2-10
0.354
SAD-SAT-3a925b8b-3
0.353
SAD-SAT-5b1897b2-8
0.353
VIK-SYN-9a3d118a-1
0.350
MAT-POS-162a9720-5
0.343
GIA-UNK-a79af1bc-1
0.343
SAD-SAT-3a925b8b-5
0.338
MAR-TRE-6a44bbf2-61
0.338
AAR-POS-d2a4d1df-29
0.338
SAD-SAT-3a925b8b-1
0.333
MAK-UNK-6ca90168-7
0.333
MAR-TRE-6a44bbf2-1
0.333
MAK-UNK-987948f6-5
0.333
NIM-UNI-310206f0-29
0.329
SAD-SAT-5b1897b2-2
0.329
DRR-IMP-dff87f5e-4
0.328
MAK-UNK-704ed37c-12
0.328
MAK-UNK-704ed37c-11
0.327
MAK-UNK-4b073b5c-16
0.327
NIM-UNI-310206f0-23
0.325
NIM-UNI-310206f0-3
0.324
NIM-UNI-310206f0-7
0.324
AAR-POS-d2a4d1df-28
0.324
MAR-TRE-6a44bbf2-77
0.324
MAK-UNK-7c9d1431-28
0.324
MAK-UNK-52a1ef4b-1
0.323
MAK-UNK-704ed37c-10
0.322
SAD-SAT-5b1897b2-9
0.322
MAK-UNK-987948f6-4
0.322
NIM-UNI-310206f0-25
0.321
NIM-UNI-310206f0-5
0.321
NIM-UNI-310206f0-1
0.320
MAK-UNK-af83ef51-2
0.319
SAD-SAT-3a925b8b-2
0.319
MAR-LAB-ca4662a6-2
0.319
AHN-SAT-de2502ba-8
0.318
MAK-UNK-52a1ef4b-3
0.318
SIM-SYN-f15aaa3a-1
0.318
DRR-IMP-38dce17f-6
0.318
AAR-POS-d2a4d1df-25
0.318
PAU-UNI-8cdd41c7-1
0.318
NIM-UNI-310206f0-13
0.318
TOB-UNK-c2aba166-1
0.317
AHN-SAT-de2502ba-3
0.315
SAD-SAT-d8079f6f-3
0.315
SAD-SAT-d8079f6f-5
0.315
SAD-SAT-89668ff1-8
0.314
MAK-UNK-7c9d1431-12
0.314
MAK-UNK-7c9d1431-20
0.314
MAK-UNK-d4768348-5
0.314
AAR-POS-0daf6b7e-16
0.313
NIM-UNI-310206f0-4
0.312
MAK-UNK-704ed37c-13
0.311
VIK-SYN-bf9c9ac8-2
0.311
MAK-UNK-6ca90168-16
0.310
VIK-SYN-9a3d118a-6
0.310
MAR-TRE-6a44bbf2-24
0.310
VIK-SYN-bf9c9ac8-8
0.310
SAD-SAT-d8079f6f-6
0.309
DRR-IMP-38dce17f-1
0.309
NIM-UNI-310206f0-9
0.309
MAK-UNK-7c9d1431-24
0.308
MAK-UNK-987948f6-2
0.308
DRR-IMP-38dce17f-3
0.308
NIM-UNI-310206f0-11
0.307
MED-COV-4280ac29-33
0.307
MAK-UNK-7c9d1431-17
0.306
MAK-UNK-6ca90168-18
0.305
MAK-UNK-6ca90168-17
0.305
ASH-SAT-43770c7d-10
0.304
MAK-UNK-e4a48a85-14
0.304
SAD-SAT-1b030f84-4
0.304
SAD-SAT-bc31ec01-5
0.304
DRR-IMP-38dce17f-5
0.304
LON-WEI-8f408cad-5
0.304
AAR-POS-0daf6b7e-17
0.304
AAR-POS-0daf6b7e-2
0.304
MAK-UNK-6ca90168-11
0.304
MAK-UNK-987948f6-3
0.304