Molecular Properties | |
SMILES: | CC(=O)Nc1cccc(N2CCCC2=O)c1C |
MW: | 232.12 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 49.41 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-7a704a63-19
1.000
MAK-UNK-7a704a63-21
0.550
MAK-UNK-c8c8f7e2-37
0.550
MAK-UNK-c8c8f7e2-38
0.550
MAK-UNK-c8c8f7e2-39
0.444
MAK-UNK-7a704a63-16
0.444
MAK-UNK-c8c8f7e2-9
0.422
MAK-UNK-7a704a63-4
0.422
MAK-UNK-7a704a63-18
0.422
MAK-UNK-c8c8f7e2-41
0.422
MAK-UNK-6435e6c2-4
0.413
MAK-UNK-7a704a63-24
0.403
MAK-UNK-7a704a63-22
0.403
MAK-UNK-c8c8f7e2-2
0.379
MAK-UNK-7a704a63-11
0.379
MAK-UNK-c8c8f7e2-4
0.379
MAK-UNK-c8c8f7e2-40
0.364
MAK-UNK-7a704a63-5
0.364
MAK-UNK-7a704a63-8
0.364
MAK-UNK-c8c8f7e2-10
0.364
MAK-UNK-c8c8f7e2-15
0.364
MAK-UNK-7a704a63-17
0.364
MAK-UNK-10dfa458-3
0.362
MAK-UNK-c8c8f7e2-3
0.358
MAK-UNK-c8c8f7e2-12
0.353
MAK-UNK-7a704a63-7
0.353
MAK-UNK-c8c8f7e2-5
0.352
AAR-UNI-c25c2f1e-15
0.350
MAK-UNK-c8c8f7e2-16
0.348
MAK-UNK-7a704a63-23
0.348
MAK-UNK-c8c8f7e2-1
0.343
MAK-UNK-c8c8f7e2-20
0.343
MAK-UNK-7a704a63-20
0.343
MAK-UNK-7a704a63-9
0.343
MAK-UNK-7a704a63-6
0.338
MAK-UNK-c8c8f7e2-11
0.338
MAK-UNK-c8c8f7e2-6
0.338
MAK-UNK-c8c8f7e2-17
0.333
AAR-POS-0daf6b7e-11
0.324
LON-WEI-8f408cad-1
0.324
MAK-UNK-7a704a63-10
0.324
MAK-UNK-10dfa458-22
0.324
MAK-UNK-c8c8f7e2-30
0.324
MAK-UNK-c8c8f7e2-8
0.315
MAK-UNK-902cc841-3
0.314
MAK-UNK-c8c8f7e2-7
0.311
MAK-UNK-c8c8f7e2-18
0.311
MAK-UNK-1e8f9e3c-1
0.298
MAK-UNK-9159f8ed-6
0.298
MAR-TRE-67513f76-4
0.297
MAK-UNK-c8c8f7e2-34
0.296
MAK-UNK-902cc841-4
0.289
MAK-UNK-1e8f9e3c-2
0.287
MAK-UNK-1e8f9e3c-4
0.287
MAK-UNK-1e8f9e3c-3
0.286
MAR-TRE-799db12b-49
0.282
MAK-UNK-c8c8f7e2-33
0.278
MAR-TRE-2fd8122f-39
0.274
MAR-TRE-7f7bb9f0-31
0.274
MAR-TRE-799db12b-69
0.274
MAK-UNK-9159f8ed-3
0.271
MAK-UNK-1e8f9e3c-5
0.271
MAK-UNK-c8c8f7e2-31
0.270
MAK-UNK-10dfa458-25
0.270
MAK-UNK-c8c8f7e2-14
0.268
MAK-UNK-7a704a63-2
0.268
JAR-IMP-ed466bb3-5
0.267
MAK-UNK-1e8f9e3c-6
0.264
MAK-UNK-7a704a63-3
0.264
MAK-UNK-c8c8f7e2-13
0.264
MAK-UNK-c8c8f7e2-43
0.264
MAK-UNK-9159f8ed-5
0.264
MAK-UNK-9159f8ed-2
0.264
MAK-UNK-c8c8f7e2-32
0.263
MAR-TRE-7f7bb9f0-54
0.263
MAK-UNK-9159f8ed-7
0.261
MAK-UNK-c8c8f7e2-42
0.260
BEN-DND-22e6b372-4
0.260
AAR-UNI-c25c2f1e-103
0.258
AAR-UNI-c25c2f1e-61
0.256
MAK-UNK-9159f8ed-1
0.255
WEI-UNI-64684f14-2
0.253
BAR-COM-0f94fc3d-53
0.253
MAK-UNK-9159f8ed-4
0.253
DAV-CRI-8c8dd668-1
0.253
WIL-LEE-1f71e281-4
0.250
MAK-UNK-c8c8f7e2-44
0.243
BEN-VAN-5787f7d3-10
0.242
MAR-LAB-ff9967db-26
0.240
DOU-UNK-b5326f8f-9
0.240
BEN-VAN-5787f7d3-1
0.239
BEN-DND-93268d01-12
0.239
MAR-TRE-9d18ae8c-65
0.239
BEN-DND-6de5dfa0-13
0.239
BEN-DND-22e6b372-3
0.237
MAK-UNK-10dfa458-23
0.237
MAK-UNK-7a704a63-1
0.236
MAK-UNK-c8c8f7e2-19
0.236
MAR-TRE-67513f76-35
0.236
MAK-UNK-7a704a63-13
0.233