Molecular Properties | |
SMILES: | CSC1CCCN1c1cccc(NC(C)=O)c1 |
MW: | 250.11 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 32.34 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-7a704a63-12
0.655
MAK-UNK-c8c8f7e2-21
0.633
MAK-UNK-c8c8f7e2-26
0.627
MAK-UNK-7a704a63-13
0.627
MAK-UNK-c8c8f7e2-29
0.578
MAK-UNK-7a704a63-14
0.578
MAK-UNK-c8c8f7e2-28
0.578
MAK-UNK-c8c8f7e2-25
0.569
MAK-UNK-c8c8f7e2-27
0.448
MAK-UNK-c8c8f7e2-42
0.441
MAK-UNK-c8c8f7e2-44
0.441
MAK-UNK-6435e6c2-4
0.439
MAK-UNK-c8c8f7e2-30
0.433
MAK-UNK-c8c8f7e2-22
0.423
MAK-UNK-c8c8f7e2-24
0.423
MAK-UNK-c8c8f7e2-23
0.417
MAK-UNK-c8c8f7e2-14
0.412
MAK-UNK-7a704a63-2
0.412
MAK-UNK-c8c8f7e2-43
0.406
MAK-UNK-7a704a63-1
0.397
MAK-UNK-c8c8f7e2-13
0.386
MAK-UNK-7a704a63-3
0.386
MAK-UNK-c8c8f7e2-19
0.357
MAK-UNK-c8c8f7e2-15
0.333
MAK-UNK-7a704a63-8
0.333
MAK-UNK-c8c8f7e2-16
0.320
MAK-UNK-10dfa458-3
0.316
MAK-UNK-7a704a63-9
0.316
MAK-UNK-c8c8f7e2-17
0.308
SAD-SAT-24589cd1-2
0.300
LON-WEI-8f408cad-1
0.299
AAR-POS-0daf6b7e-11
0.299
MAK-UNK-7a704a63-10
0.299
MAK-UNK-10dfa458-22
0.299
WIL-LEE-23e8b574-8
0.296
SWA-SYN-d2e6fa14-10
0.295
SWA-SYN-6423ea73-9
0.295
IND-SYN-6c8299e8-8
0.295
LON-WEI-120e5cf5-19
0.293
MAK-UNK-c8c8f7e2-18
0.287
MAK-UNK-7a704a63-5
0.280
MAK-UNK-c8c8f7e2-10
0.280
MAK-UNK-902cc841-3
0.280
BAR-COM-0f94fc3d-53
0.277
MAR-TRE-a9136c7b-57
0.276
RAL-MED-2de63afb-10
0.272
MAK-UNK-902cc841-4
0.271
SWA-SYN-d2e6fa14-8
0.270
SWA-SYN-6423ea73-8
0.270
MAK-UNK-1e8f9e3c-2
0.269
MAR-TRE-66ac689e-72
0.268
MAK-UNK-1e8f9e3c-1
0.264
MAK-UNK-9159f8ed-6
0.264
MAK-UNK-7a704a63-17
0.263
MAK-UNK-c8c8f7e2-40
0.263
MAK-UNK-9159f8ed-5
0.260
MAK-UNK-c8c8f7e2-39
0.260
MAK-UNK-7a704a63-16
0.260
MAK-UNK-7a704a63-6
0.260
MAK-UNK-c8c8f7e2-11
0.260
WIL-UNI-1faa9b10-23
0.256
MAK-UNK-c8c8f7e2-38
0.253
MAK-UNK-7a704a63-23
0.253
RAL-MED-2de63afb-12
0.253
MAK-UNK-1e8f9e3c-3
0.253
MAK-UNK-1e8f9e3c-5
0.253
BAR-COM-4e090d3a-60
0.253
RAL-MED-2de63afb-11
0.250
MAK-UNK-7a704a63-22
0.250
RAL-MED-2de63afb-9
0.250
JOO-IND-6372a4f3-2
0.250
MAK-UNK-9159f8ed-2
0.247
AAR-UNI-c25c2f1e-87
0.247
ANT-OPE-6e66bf84-2
0.247
JOO-IND-6372a4f3-3
0.247
AHN-SAT-de2502ba-6
0.247
JOH-UNI-c7afdb96-7
0.247
MAR-TRE-6a44bbf2-43
0.247
MAK-UNK-7a704a63-20
0.247
JAG-UCB-ef2c0e8e-2
0.247
JAG-SYN-9c2cd0bd-14
0.247
TAM-UNI-c140e31a-16
0.245
WIL-UNI-5578df48-30
0.245
BAR-COM-4e090d3a-20
0.244
JOO-IND-6372a4f3-1
0.244
MAK-UNK-1e8f9e3c-4
0.242
BAR-COM-4e090d3a-58
0.242
BEN-DND-031a96cc-5
0.241
AHN-SAT-de2502ba-5
0.241
JOH-UNI-c7afdb96-6
0.241
AAR-POS-d2a4d1df-38
0.241
MAK-UNK-9159f8ed-1
0.240
MAK-UNK-10dfa458-25
0.240
AAR-UNI-c25c2f1e-61
0.240
MAR-TRE-799db12b-14
0.239
BAR-COM-4e090d3a-53
0.239
ANT-OPE-6e66bf84-1
0.239
BAR-COM-21d20d65-2
0.239
MAR-TRE-a9136c7b-42
0.239
MAK-UNK-9159f8ed-4
0.238