Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCC(CCl)C2)c1 |
MW: | 252.1 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Alkyl Halide
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-22
0.772
MAK-UNK-c8c8f7e2-24
0.772
MAK-UNK-c8c8f7e2-27
0.644
MAK-UNK-7a704a63-13
0.477
MAK-UNK-c8c8f7e2-26
0.477
MAK-UNK-c8c8f7e2-25
0.457
MAK-UNK-7a704a63-12
0.455
MAK-UNK-c8c8f7e2-29
0.443
MAK-UNK-c8c8f7e2-42
0.441
MAK-UNK-c8c8f7e2-21
0.441
MAK-UNK-c8c8f7e2-43
0.426
MAK-UNK-c8c8f7e2-28
0.423
MAK-UNK-7a704a63-14
0.423
MAK-UNK-c8c8f7e2-44
0.420
MAK-UNK-6435e6c2-4
0.418
MAK-UNK-7a704a63-15
0.417
MAK-UNK-c8c8f7e2-14
0.412
MAK-UNK-7a704a63-2
0.412
MAK-UNK-c8c8f7e2-30
0.412
MAK-UNK-7a704a63-3
0.406
MAK-UNK-c8c8f7e2-13
0.406
MAK-UNK-7a704a63-1
0.397
SAD-SAT-24589cd1-2
0.368
WIL-LEE-23e8b574-8
0.364
SWA-SYN-6423ea73-9
0.347
SWA-SYN-d2e6fa14-10
0.347
IND-SYN-6c8299e8-8
0.347
BAR-COM-4e090d3a-58
0.345
MAK-UNK-7a704a63-10
0.333
AAR-POS-0daf6b7e-11
0.333
LON-WEI-8f408cad-1
0.333
LON-WEI-120e5cf5-19
0.325
MAK-UNK-c8c8f7e2-18
0.321
MAK-UNK-c8c8f7e2-16
0.320
MAK-UNK-c8c8f7e2-19
0.319
MAK-UNK-7a704a63-9
0.316
MAK-UNK-c8c8f7e2-15
0.315
MAK-UNK-7a704a63-8
0.315
MAK-UNK-c8c8f7e2-17
0.308
SAD-SAT-5b1897b2-4
0.306
AAR-UNI-c25c2f1e-87
0.303
MAR-TRE-be9ff7d2-95
0.299
IND-SYN-6c8299e8-9
0.296
MAR-TRE-6a44bbf2-43
0.295
AHN-SAT-de2502ba-6
0.295
SAD-SAT-65574d3f-9
0.292
AHN-SAT-de2502ba-5
0.287
WIL-UNI-1faa9b10-23
0.287
AAR-POS-d2a4d1df-38
0.287
MAK-UNK-de8f6d00-2
0.284
MAK-UNK-10dfa458-22
0.282
MAK-UNK-10dfa458-3
0.282
MAK-UNK-1e8f9e3c-3
0.281
MAK-UNK-1e8f9e3c-5
0.281
MAR-TRE-6a44bbf2-3
0.280
MAK-UNK-c8c8f7e2-10
0.280
MAK-UNK-7a704a63-5
0.280
SAD-SAT-7d5528d9-35
0.280
NIR-THE-0d6461ce-1
0.278
BAR-COM-0f94fc3d-53
0.277
MAK-UNK-c8c8f7e2-11
0.276
MAK-UNK-7a704a63-6
0.276
MAK-UNK-7a704a63-16
0.276
MAK-UNK-c8c8f7e2-39
0.276
MAK-UNK-af83ef51-5
0.274
MAK-UNK-90d0606b-8
0.273
DAN-MCD-02570321-1
0.270
SWA-SYN-d2e6fa14-8
0.270
SWA-SYN-6423ea73-8
0.270
MAT-POS-162a9720-2
0.269
JOH-UNI-c7afdb96-8
0.269
NIL-NON-a189c016-1
0.269
UNK-CYC-68f84b31-32
0.269
SAD-SAT-135344c3-8
0.269
MAK-UNK-1e8f9e3c-4
0.269
AHN-SAT-de2502ba-4
0.268
MAR-TRE-6a44bbf2-100
0.268
MAR-TRE-a9136c7b-42
0.267
BAR-COM-4e090d3a-60
0.267
NIM-UNI-43fe0159-7
0.266
MAK-UNK-af83ef51-6
0.266
RAL-MED-2de63afb-11
0.266
LON-WEI-120e5cf5-13
0.265
MAK-UNK-af83ef51-9
0.264
WAR-XCH-b72a1bbc-45
0.264
MAK-UNK-c8c8f7e2-40
0.263
MAK-UNK-7a704a63-17
0.263
JAG-SYN-9c2cd0bd-9
0.263
JOH-UNI-c7afdb96-7
0.263
JAN-GHE-1d98ec1c-7
0.262
LON-WEI-b8d98729-4
0.262
MAR-TRE-a9136c7b-57
0.261
LON-WEI-120e5cf5-2
0.261
DRA-CSI-47e38074-2
0.261
MIC-UNK-c5a20098-3
0.260
MAR-TRE-d0525fbf-84
0.260
NIR-WEI-dcc3321b-2
0.260
MAR-TRE-6a44bbf2-86
0.260
LON-WEI-120e5cf5-15
0.260
NIM-UNI-310206f0-35
0.260