Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(c2ccc(O)cc2)OC1 |
MW: | 255.701 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 49.77 |
cLogP: | 1.8785 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-33
NIM-UNI-43fe0159-1
0.712
NIM-UNI-43fe0159-5
0.712
NIM-UNI-43fe0159-4
0.698
NIM-UNI-43fe0159-6
0.685
NIM-UNI-43fe0159-2
0.685
NIM-UNI-43fe0159-11
0.667
NIM-UNI-43fe0159-9
0.661
NIM-UNI-43fe0159-7
0.661
NIM-UNI-43fe0159-10
0.644
NIM-UNI-43fe0159-8
0.627
NIM-UNI-43fe0159-12
0.607
MAK-UNK-704ed37c-16
0.453
SAD-SAT-6b5a89f0-2
0.365
MAK-UNK-212f693e-10
0.364
JOK-SYG-8934678c-1
0.361
AAR-POS-d2a4d1df-33
0.353
MAR-TRE-6a44bbf2-39
0.353
SAD-SAT-d8079f6f-4
0.340
MAK-UNK-c74072e5-8
0.338
MAK-UNK-c97f7c8f-1
0.338
MAR-TRE-6a44bbf2-53
0.329
MAK-UNK-7c9d1431-25
0.329
MAR-TRE-6a44bbf2-15
0.329
AAR-POS-0daf6b7e-6
0.329
MAK-UNK-212f693e-32
0.328
LON-WEI-120e5cf5-15
0.324
MAR-TRE-6a44bbf2-86
0.324
MAK-UNK-212f693e-13
0.324
MAK-UNK-750cfbcc-1
0.321
MAK-UNK-6c8f5f75-1
0.321
MAK-UNK-f983951f-21
0.321
MAK-UNK-6ca90168-22
0.319
LON-WEI-120e5cf5-20
0.319
AAR-POS-0daf6b7e-2
0.318
MAK-UNK-6ca90168-11
0.318
MAK-UNK-3d7e3904-2
0.316
MAK-UNK-704ed37c-8
0.313
SAD-SAT-1b030f84-9
0.312
LON-WEI-120e5cf5-10
0.310
MAK-UNK-af83ef51-6
0.310
AAR-POS-0daf6b7e-5
0.309
MAK-UNK-704ed37c-3
0.308
MAK-UNK-704ed37c-5
0.308
MAK-UNK-95198336-4
0.306
MAK-UNK-95198336-7
0.306
MAK-UNK-704ed37c-14
0.305
NEH-REV-107bcf72-5
0.304
MAK-UNK-704ed37c-7
0.303
MAK-UNK-704ed37c-2
0.303
SAD-SAT-29425be4-14
0.303
MAR-TRE-6a44bbf2-9
0.301
LON-WEI-120e5cf5-16
0.301
LON-WEI-120e5cf5-5
0.300
MAK-UNK-d4768348-6
0.300
WAR-XCH-b0339bbe-18
0.300
SAD-SAT-6b5a89f0-4
0.300
GIA-UNK-a79af1bc-1
0.300
MAK-UNK-987948f6-15
0.300
MAK-UNK-750cfbcc-2
0.300
NIM-UNI-05f93fcc-14
0.299
MAK-UNK-3d7e3904-3
0.299
DRR-IMP-dff87f5e-3
0.299
LON-WEI-8f408cad-5
0.299
MAK-UNK-704ed37c-6
0.299
AAR-POS-d2a4d1df-44
0.299
AAR-POS-0daf6b7e-17
0.299
ASH-SAT-43770c7d-10
0.299
LON-WEI-120e5cf5-11
0.297
LON-WEI-120e5cf5-14
0.296
MAK-UNK-704ed37c-11
0.296
BEN-DND-76ad4ac9-4
0.296
MAK-UNK-750cfbcc-3
0.295
MAR-TRE-6a44bbf2-79
0.295
SAD-SAT-3a925b8b-9
0.294
JOH-UNI-27ac80fd-23
0.294
MAK-UNK-704ed37c-9
0.294
MAK-UNK-212f693e-9
0.294
MAK-UNK-4b073b5c-16
0.294
AAR-POS-0daf6b7e-12
0.294
MAK-UNK-c97f7c8f-2
0.293
SAD-SAT-5b1897b2-9
0.293
SAD-SAT-3a925b8b-5
0.292
AAR-POS-d2a4d1df-29
0.292
MAK-UNK-52a1ef4b-3
0.292
MAR-TRE-6a44bbf2-61
0.292
MAK-UNK-6ca90168-20
0.292
BEN-DND-76ad4ac9-7
0.292
WAR-XCH-79d12f6e-4
0.292
MAK-UNK-212f693e-11
0.292
SAD-SAT-29425be4-20
0.291
MAK-UNK-d4768348-5
0.290
MAK-UNK-d4768348-8
0.290
LON-WEI-120e5cf5-13
0.289
SAD-SAT-5b1897b2-10
0.288
NIR-THE-0d6461ce-1
0.288
MAK-UNK-69bf97dd-5
0.287
SAD-SAT-bc31ec01-8
0.286
VIR-GIT-7b3d3065-2
0.286
AAR-POS-0daf6b7e-9
0.286
ZHA-UNK-d0478d18-1
0.286