Molecular Properties | |
SMILES: | O=C(CCl)N1CCO[C@@H](c2ccc(F)cc2)C1 |
MW: | 257.06 |
Fraction sp3: | 0.42 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 29.54 |
cLogP: | 1.96 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-33
1.000
IND-SYN-6c8299e8-12
0.646
JOK-SYG-8934678c-1
0.645
MAR-TRE-dab8f6ea-49
0.560
SAD-SAT-1f400d17-3
0.415
MAR-TRE-dab8f6ea-15
0.395
MAK-UNK-3f402c2b-10
0.386
BOG-INS-8ebd826b-1
0.382
MAT-POS-162a9720-4
0.381
BOG-INS-d6bb07dc-1
0.378
BEN-DND-03406596-8
0.375
DRR-IMP-db50bf6e-1
0.375
KAY-MCD-d0fe5261-1
0.373
DRR-IMP-dff87f5e-1
0.373
MAR-TRE-6a44bbf2-58
0.373
BOG-INS-da52c1c2-1
0.366
BOG-INS-16021dc0-1
0.364
MAR-TRE-dab8f6ea-28
0.357
FOC-CAS-e3a94da8-1
0.357
NIM-UNI-43fe0159-3
0.353
FOC-CAS-e3a94da8-2
0.353
SAD-SAT-2ceae68f-10
0.350
NIM-UNI-43fe0159-5
0.348
NIM-UNI-43fe0159-1
0.348
NIM-UNI-43fe0159-9
0.347
NIM-UNI-43fe0159-4
0.343
NIM-UNI-43fe0159-2
0.338
NIM-UNI-43fe0159-6
0.338
JOH-UNI-27ac80fd-28
0.333
BOG-INS-177e97e6-1
0.333
NIM-UNI-43fe0159-10
0.329
MAR-TRE-6a44bbf2-47
0.329
NIM-UNI-43fe0159-7
0.329
GIA-UNK-7337c2f3-4
0.324
MAK-UNK-f983951f-21
0.321
NIM-UNI-43fe0159-11
0.320
SAD-SAT-bc31ec01-6
0.316
SAD-SAT-6b5a89f0-2
0.316
NIM-UNI-43fe0159-8
0.316
AAR-POS-0daf6b7e-12
0.314
JOH-UNI-27ac80fd-23
0.314
SAD-SAT-3a925b8b-5
0.313
SAL-INS-1c7a5a55-11
0.313
SAL-INS-1c7a5a55-12
0.310
SAD-SAT-581007d4-1
0.310
SAD-SAT-c989feaa-1
0.310
LON-WEI-120e5cf5-8
0.308
NIM-UNI-43fe0159-12
0.308
DRR-IMP-38dce17f-2
0.306
DRR-IMP-38dce17f-1
0.304
DAN-MCD-c163c0bb-1
0.303
MAK-UNK-c74072e5-8
0.301
SAD-SAT-f25ee457-1
0.301
MAK-UNK-7c9d1431-28
0.300
AAR-POS-0daf6b7e-2
0.300
DAN-LON-a5fc619e-6
0.298
BEN-DND-76ad4ac9-4
0.297
SAD-SAT-f0a2747f-10
0.297
AHN-SAT-de2502ba-15
0.297
MAR-LAB-ca4662a6-2
0.296
BEN-VAN-77cef4f8-4
0.295
BEN-DND-03406596-3
0.295
BEN-DND-76ad4ac9-14
0.295
DAN-LON-a5fc619e-1
0.295
DRR-IMP-38dce17f-6
0.294
BEN-VAN-77cef4f8-1
0.294
JON-MCD-47e58de1-1
0.294
BEN-DND-76ad4ac9-7
0.293
JOH-UNI-27ac80fd-33
0.293
SAD-SAT-d8079f6f-4
0.293
BEN-VAN-77cef4f8-5
0.292
SAD-SAT-65574d3f-6
0.292
BEN-VAN-77cef4f8-2
0.291
SAD-SAT-c989feaa-4
0.291
SAD-SAT-5b1897b2-10
0.290
ANT-OPE-d972fbad-1
0.290
MAR-TRE-6a44bbf2-54
0.289
MAK-UNK-7c9d1431-16
0.289
SAD-SAT-5b1897b2-5
0.289
KAT-UNK-b2a0d5b1-1
0.289
DUN-NEW-f8ce3686-22
0.289
SAD-SAT-1b030f84-9
0.288
MAK-UNK-95198336-3
0.288
KAT-UNK-48001bce-1
0.288
KAT-MCD-525c981a-1
0.288
LON-WEI-8f408cad-4
0.288
BEN-DND-03406596-10
0.288
AAR-POS-0daf6b7e-38
0.288
AAR-POS-d2a4d1df-23
0.288
MAR-TRE-6a44bbf2-18
0.288
JOH-UNI-27ac80fd-35
0.287
NIM-UNI-310206f0-7
0.286
SAD-SAT-edc8a235-7
0.286
MAK-UNK-704ed37c-16
0.286
SAD-SAT-5b1897b2-3
0.286
BEN-DND-03406596-6
0.284
BEN-DND-76ad4ac9-10
0.284
BEN-DND-76ad4ac9-8
0.284
JOH-UNI-27ac80fd-30
0.284
MAK-UNK-7c9d1431-17
0.284