Molecular Properties | |
SMILES: | COc1ccc(NC(C)=O)cc1N1CCCC1=O |
MW: | 248.12 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 58.64 |
cLogP: | 1.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-5304797713 |
Mcule Ultimate: | ISZNSQYDFAXLIB-UHFFFAOYSA-N |
MolPort: | MolPort-003-166-563 |
LON-WEI-8f408cad-3
MAK-UNK-7a704a63-16
0.583
MAK-UNK-c8c8f7e2-39
0.583
MAK-UNK-7a704a63-24
0.463
MAK-UNK-6435e6c2-4
0.453
MAK-UNK-c8c8f7e2-37
0.448
MAK-UNK-7a704a63-23
0.448
MAK-UNK-7a704a63-21
0.448
MAK-UNK-c8c8f7e2-10
0.446
MAK-UNK-7a704a63-5
0.446
MAK-UNK-c8c8f7e2-36
0.403
MAK-UNK-7a704a63-19
0.403
MAK-UNK-c8c8f7e2-38
0.386
MAK-UNK-c8c8f7e2-40
0.382
MAK-UNK-7a704a63-20
0.382
MAK-UNK-7a704a63-17
0.382
MAK-UNK-7a704a63-18
0.377
MAK-UNK-c8c8f7e2-11
0.377
MAK-UNK-7a704a63-6
0.377
MAK-UNK-c8c8f7e2-41
0.377
MAK-UNK-7a704a63-8
0.362
MAK-UNK-c8c8f7e2-15
0.362
MAK-UNK-c8c8f7e2-30
0.362
MAK-UNK-c8c8f7e2-9
0.357
MAK-UNK-7a704a63-4
0.357
MAK-UNK-c8c8f7e2-12
0.352
MAK-UNK-7a704a63-7
0.352
MAK-UNK-c8c8f7e2-16
0.347
MAK-UNK-7a704a63-9
0.342
MAK-UNK-10dfa458-22
0.342
MAK-UNK-c8c8f7e2-17
0.333
MAK-UNK-7a704a63-10
0.324
AAR-POS-0daf6b7e-11
0.324
LON-WEI-8f408cad-1
0.324
MAK-UNK-10dfa458-3
0.324
MAK-UNK-c8c8f7e2-1
0.324
MAK-UNK-c8c8f7e2-43
0.319
MAK-UNK-c8c8f7e2-42
0.315
MAK-UNK-c8c8f7e2-18
0.312
MAK-UNK-7a704a63-2
0.306
MAK-UNK-c8c8f7e2-20
0.306
MAK-UNK-c8c8f7e2-14
0.306
MAK-UNK-c8c8f7e2-6
0.303
MAK-UNK-7a704a63-11
0.301
MAK-UNK-c8c8f7e2-3
0.301
MAK-UNK-c8c8f7e2-4
0.301
MAK-UNK-7a704a63-3
0.301
MAK-UNK-c8c8f7e2-13
0.301
MAK-UNK-c8c8f7e2-2
0.301
MAR-TRE-e82e6c98-58
0.300
MAK-UNK-9159f8ed-1
0.298
MAK-UNK-c8c8f7e2-44
0.297
JAR-IMP-ed466bb3-5
0.294
MAK-UNK-9159f8ed-2
0.293
MAR-TRE-6a44bbf2-42
0.293
MAT-POS-b5746674-56
0.288
MAK-UNK-1e8f9e3c-5
0.287
MAK-UNK-9159f8ed-3
0.287
MAK-UNK-902cc841-3
0.286
MAK-UNK-7a704a63-14
0.286
MAK-UNK-c8c8f7e2-28
0.286
MAK-UNK-9159f8ed-6
0.284
MAK-UNK-1e8f9e3c-1
0.284
MAR-TRE-67513f76-4
0.282
MAK-UNK-c8c8f7e2-5
0.282
MAK-UNK-1e8f9e3c-6
0.281
MAK-UNK-9159f8ed-5
0.280
LON-WEI-4d77710c-5
0.279
LON-WEI-5e7d1b3e-5
0.279
MAK-UNK-c8c8f7e2-7
0.278
MIC-UNK-b9827f26-4
0.278
MAK-UNK-902cc841-4
0.277
MAR-TRE-f6f5f473-69
0.276
MAK-UNK-1e8f9e3c-2
0.275
MAK-UNK-c8c8f7e2-19
0.274
MAK-UNK-7a704a63-1
0.274
MAK-UNK-c8c8f7e2-31
0.273
AAR-UNI-c25c2f1e-15
0.273
MAK-UNK-1e8f9e3c-3
0.273
AAR-UNI-c25c2f1e-61
0.272
MAK-UNK-7a704a63-13
0.270
MAK-UNK-c8c8f7e2-26
0.270
MAK-UNK-7a704a63-12
0.270
MAK-UNK-c8c8f7e2-29
0.269
MAK-UNK-9159f8ed-4
0.268
MAK-UNK-c8c8f7e2-8
0.266
MAK-UNK-c8c8f7e2-32
0.266
MAR-TRE-7f7bb9f0-54
0.265
MAK-UNK-9159f8ed-7
0.264
MAR-TRE-67513f76-74
0.263
MAK-UNK-c8c8f7e2-21
0.263
MAK-UNK-c8c8f7e2-34
0.263
MAR-TRE-7f7bb9f0-31
0.261
MAR-TRE-2fd8122f-39
0.261
MAK-UNK-1e8f9e3c-4
0.261
MAK-UNK-10dfa458-25
0.258
MAR-TRE-6a44bbf2-82
0.256
ANT-LOU-17aa1493-2
0.254
JOH-MEM-5e386bbd-6
0.253
JOH-MEM-5e386bbd-4
0.253
MAR-TRE-67513f76-35
0.253