Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCCC2C)c1 |
MW: | 218.14 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 32.34 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-26
0.698
MAK-UNK-7a704a63-13
0.698
MAK-UNK-c8c8f7e2-21
0.673
MAK-UNK-7a704a63-15
0.655
MAK-UNK-c8c8f7e2-29
0.638
MAK-UNK-7a704a63-14
0.638
MAK-UNK-c8c8f7e2-28
0.638
MAK-UNK-c8c8f7e2-25
0.627
MAK-UNK-c8c8f7e2-44
0.533
MAK-UNK-c8c8f7e2-42
0.508
MAK-UNK-c8c8f7e2-27
0.492
MAK-UNK-6435e6c2-4
0.483
MAK-UNK-c8c8f7e2-30
0.475
MAK-UNK-c8c8f7e2-43
0.468
MAK-UNK-c8c8f7e2-24
0.462
MAK-UNK-c8c8f7e2-22
0.462
MAK-UNK-c8c8f7e2-23
0.455
MAK-UNK-c8c8f7e2-14
0.452
MAK-UNK-7a704a63-2
0.452
MAK-UNK-7a704a63-1
0.435
MAK-UNK-7a704a63-3
0.422
MAK-UNK-c8c8f7e2-13
0.422
MAK-UNK-c8c8f7e2-19
0.369
MAK-UNK-c8c8f7e2-15
0.364
MAK-UNK-7a704a63-8
0.364
MAK-UNK-c8c8f7e2-16
0.348
MAK-UNK-7a704a63-9
0.343
MAK-UNK-c8c8f7e2-17
0.333
MAK-UNK-7a704a63-10
0.324
AAR-POS-0daf6b7e-11
0.324
MAK-UNK-10dfa458-3
0.324
MAK-UNK-10dfa458-22
0.324
LON-WEI-8f408cad-1
0.324
WIL-LEE-23e8b574-8
0.320
SWA-SYN-d2e6fa14-10
0.319
IND-SYN-6c8299e8-8
0.319
SWA-SYN-6423ea73-9
0.319
MAK-UNK-c8c8f7e2-18
0.311
SAD-SAT-24589cd1-2
0.307
MAK-UNK-c8c8f7e2-10
0.304
MAK-UNK-7a704a63-5
0.304
MAK-UNK-1e8f9e3c-2
0.302
MAK-UNK-7a704a63-6
0.300
MAK-UNK-c8c8f7e2-11
0.300
LON-WEI-120e5cf5-19
0.299
MAK-UNK-9159f8ed-6
0.298
MAK-UNK-1e8f9e3c-1
0.298
MAR-TRE-a9136c7b-57
0.296
MAK-UNK-9159f8ed-5
0.292
SWA-SYN-d2e6fa14-8
0.289
SWA-SYN-6423ea73-8
0.289
MAK-UNK-1e8f9e3c-3
0.286
MAK-UNK-7a704a63-17
0.286
MAK-UNK-c8c8f7e2-40
0.286
MAK-UNK-902cc841-3
0.284
MAK-UNK-7a704a63-16
0.282
MAK-UNK-c8c8f7e2-39
0.282
BAR-COM-0f94fc3d-53
0.281
AAR-UNI-c25c2f1e-87
0.279
BAR-COM-4e090d3a-20
0.277
RAL-MED-2de63afb-10
0.276
BEN-DND-031a96cc-5
0.276
WIL-UNI-1faa9b10-23
0.276
MAK-UNK-902cc841-4
0.275
MAK-UNK-7a704a63-23
0.274
MAK-UNK-1e8f9e3c-5
0.271
MAK-UNK-7a704a63-22
0.270
RAL-MED-2de63afb-11
0.270
MAK-UNK-10dfa458-25
0.270
JAG-UCB-ef2c0e8e-2
0.268
MAK-UNK-7a704a63-20
0.268
AAR-UNI-c25c2f1e-53
0.267
AAR-UNI-c25c2f1e-93
0.267
MAR-TRE-6a44bbf2-43
0.267
AHN-SAT-de2502ba-6
0.267
JOH-UNI-c7afdb96-7
0.267
TRY-UNI-9f475305-11
0.266
MAK-UNK-9159f8ed-2
0.264
UNK-CYC-68f84b31-13
0.263
TAM-UNI-c140e31a-16
0.261
JOH-UNI-c7afdb96-6
0.260
AHN-SAT-de2502ba-5
0.260
BAR-COM-4e090d3a-58
0.259
MAK-UNK-1e8f9e3c-4
0.258
JOH-UNI-c7afdb96-8
0.257
MAK-UNK-c8c8f7e2-38
0.257
MAR-TRE-66ac689e-72
0.256
RAL-MED-2de63afb-12
0.256
MAR-TRE-a9136c7b-42
0.256
BAR-COM-4e090d3a-60
0.256
BAR-COM-4e090d3a-53
0.256
MAK-UNK-9159f8ed-1
0.255
JAG-UCB-ef2c0e8e-10
0.253
RAL-MED-2de63afb-9
0.253
NIM-UNI-43fe0159-7
0.253
JOO-IND-6372a4f3-2
0.253
RAL-MED-2de63afb-4
0.253
MAK-UNK-9159f8ed-4
0.253
JAN-GHE-1d98ec1c-7
0.250
JAG-SYN-9c2cd0bd-14
0.250