Molecular Properties | |
SMILES: | CN1CCN(C(=O)COc2ccc(-c3ccoc3C(=O)N3CCN(C(=O)CCl)CC3)cc2)CC1 |
MW: | 488.18 |
Fraction sp3: | 0.46 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 86.54 |
cLogP: | 1.62 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-29
AAR-POS-d2a4d1df-6
0.493
JOH-IMS-cc7b4c67-1
0.463
RAF-UNK-9885c2f5-1
0.441
JOH-IMS-cc7b4c67-2
0.365
AAR-POS-d2a4d1df-29
0.346
MAR-TRE-6a44bbf2-61
0.346
JOH-UNI-27ac80fd-25
0.341
AAR-POS-0daf6b7e-16
0.341
MAK-UNK-acefcb18-30
0.338
JOH-IMS-cc7b4c67-6
0.330
AAR-POS-d2a4d1df-25
0.329
AHN-SAT-de2502ba-8
0.329
SAD-SAT-3a925b8b-4
0.329
SAD-SAT-3a925b8b-5
0.329
PEI-IMP-668afc53-2
0.323
MAK-UNK-987948f6-2
0.321
MAK-UNK-acefcb18-20
0.320
MAK-UNK-987948f6-3
0.318
YOI-UNK-090ea88a-1
0.316
JOH-IMS-cc7b4c67-8
0.314
MAK-UNK-6ca90168-20
0.313
DRR-IMP-db50bf6e-1
0.313
SAD-SAT-3a925b8b-1
0.310
NAU-LAT-ec9c7557-3
0.308
MAK-UNK-7c9d1431-22
0.308
MAR-TRE-6a44bbf2-77
0.303
ASH-SAT-43770c7d-10
0.302
DRR-IMP-db50bf6e-3
0.301
PEI-IMP-668afc53-1
0.300
DRR-IMP-db50bf6e-2
0.300
MAK-UNK-6ca90168-1
0.297
DAV-UNK-07f953a2-3
0.296
JOH-IMS-cc7b4c67-4
0.295
PET-SGC-fedd1f79-1
0.295
SAD-SAT-1b030f84-5
0.294
ALE-SYG-bac15da4-2
0.292
VIK-SYN-bf9c9ac8-2
0.291
AAR-POS-0daf6b7e-18
0.291
SEA-TRI-2c7f3de8-1
0.290
MAK-UNK-7c9d1431-17
0.289
GIA-UNK-4de5abb1-5
0.289
DRR-IMP-38dce17f-7
0.287
MAK-UNK-6ca90168-15
0.287
MAK-UNK-6ca90168-14
0.287
MAK-UNK-acefcb18-21
0.284
SWA-SYN-40d44a84-2
0.284
MAK-UNK-212f693e-9
0.284
SAD-SAT-3a925b8b-2
0.284
MAK-UNK-704ed37c-11
0.284
SWA-SYN-d2e6fa14-7
0.283
SWA-SYN-6423ea73-7
0.283
WAL-WAB-df110a02-2
0.280
SAD-SAT-1b030f84-9
0.275
MAK-UNK-7c9d1431-28
0.273
SAD-SAT-5b1897b2-4
0.273
DAR-DIA-3e9bbd81-11
0.273
LON-WEI-8f408cad-5
0.273
AAR-POS-0daf6b7e-17
0.273
PET-SGC-ae7b447e-1
0.272
MAK-UNK-849bee6c-6
0.271
MAK-UNK-7c9d1431-29
0.271
AAR-POS-0daf6b7e-21
0.270
SEA-TRI-8222e606-1
0.270
SAD-SAT-581007d4-5
0.270
MAR-LAB-ca4662a6-2
0.270
AAR-POS-d2a4d1df-27
0.270
MAR-LAB-efb042c5-5
0.270
MAR-TRE-6a44bbf2-68
0.270
PAU-WEI-b9b69149-3
0.269
MAK-UNK-704ed37c-12
0.269
JOK-SYG-18591e8f-1
0.269
NIM-UNI-43fe0159-9
0.269
GIA-UNK-20b63697-5
0.268
MED-COV-4280ac29-23
0.268
SIM-SYN-f15aaa3a-1
0.267
DAR-DIA-fb20be43-5
0.267
WIL-WAB-1289c0dd-1
0.267
MAR-TRE-6a44bbf2-92
0.267
MED-COV-4280ac29-6
0.267
PAU-WEI-b9b69149-6
0.266
MAK-UNK-7c9d1431-14
0.266
GIA-UNK-7337c2f3-7
0.266
SAD-SAT-1b030f84-8
0.266
AAR-POS-d2a4d1df-20
0.265
MED-COV-4280ac29-7
0.265
IND-SYN-6c8299e8-4
0.265
SID-ELM-1f105489-1
0.265
GIA-UNK-4de5abb1-2
0.265
SIM-SYN-f15aaa3a-2
0.265
NIM-UNI-05f93fcc-15
0.265
MAK-UNK-7c9d1431-19
0.263
MED-COV-4280ac29-33
0.263
GIA-UNK-7337c2f3-10
0.263
GIA-UNK-7337c2f3-14
0.262
MAK-UNK-6ca90168-10
0.261
SAD-SAT-5b1897b2-3
0.261
AHN-SAT-de2502ba-7
0.261
DRR-IMP-38dce17f-1
0.261
AAR-POS-0daf6b7e-13
0.261
LON-WEI-8f408cad-7
0.261