Molecular Properties | |
SMILES: | COC(C)C(C)c1cccc(N2CCCC2=O)c1 |
MW: | 247.16 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 29.54 |
cLogP: | 2.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-c8c8f7e2-32
0.667
MAK-UNK-c8c8f7e2-34
0.574
MAK-UNK-c8c8f7e2-33
0.574
MAK-UNK-c8c8f7e2-6
0.523
MAK-UNK-c8c8f7e2-7
0.507
MAR-TRE-799db12b-49
0.449
MAK-UNK-c8c8f7e2-1
0.446
MAK-UNK-6435e6c2-4
0.431
MAK-UNK-c8c8f7e2-16
0.426
MAK-UNK-c8c8f7e2-20
0.424
MAK-UNK-c8c8f7e2-4
0.418
MAK-UNK-c8c8f7e2-2
0.418
MAK-UNK-c8c8f7e2-3
0.418
MAK-UNK-7a704a63-11
0.418
MAK-UNK-7a704a63-8
0.403
MAK-UNK-c8c8f7e2-15
0.403
MAK-UNK-7a704a63-9
0.400
MAK-UNK-c8c8f7e2-8
0.389
MAK-UNK-c8c8f7e2-17
0.389
MAK-UNK-c8c8f7e2-5
0.389
MAK-UNK-10dfa458-3
0.380
MAK-UNK-10dfa458-22
0.380
AAR-POS-0daf6b7e-11
0.380
LON-WEI-8f408cad-1
0.380
MAK-UNK-7a704a63-10
0.380
MAK-UNK-9159f8ed-3
0.366
MAK-UNK-c8c8f7e2-18
0.365
MAK-UNK-7a704a63-24
0.361
MAK-UNK-9159f8ed-2
0.352
MAK-UNK-7a704a63-23
0.347
MAK-UNK-c8c8f7e2-41
0.338
MAK-UNK-7a704a63-18
0.338
MAR-TRE-2fd8122f-39
0.337
MAK-UNK-9159f8ed-7
0.337
MAK-UNK-902cc841-4
0.333
MAK-UNK-c8c8f7e2-12
0.333
MAK-UNK-7a704a63-7
0.333
AAR-UNI-c25c2f1e-103
0.330
MAK-UNK-902cc841-3
0.330
BEN-VAN-5787f7d3-10
0.330
AAR-UNI-c25c2f1e-61
0.330
MAK-UNK-9159f8ed-6
0.329
MAK-UNK-1e8f9e3c-1
0.329
MAK-UNK-9159f8ed-1
0.326
BEN-VAN-5787f7d3-1
0.326
MAK-UNK-1e8f9e3c-6
0.326
MAK-UNK-9159f8ed-5
0.322
MAR-TRE-799db12b-69
0.321
MAK-UNK-7a704a63-6
0.319
MAK-UNK-c8c8f7e2-11
0.319
MAK-UNK-1e8f9e3c-2
0.318
MAK-UNK-1e8f9e3c-3
0.318
MAK-UNK-1e8f9e3c-5
0.318
MAR-TRE-67513f76-4
0.316
BAR-COM-0f94fc3d-53
0.311
BEN-VAN-5787f7d3-12
0.309
MAK-UNK-9159f8ed-4
0.309
DOU-UNK-b5326f8f-9
0.309
MAK-UNK-10dfa458-23
0.308
BEN-VAN-5787f7d3-11
0.308
MAK-UNK-1e8f9e3c-4
0.303
MAK-UNK-10dfa458-25
0.300
COM-UCB-1ef4e90e-23
0.299
DAV-CRI-8c8dd668-1
0.295
MAK-UNK-7a704a63-21
0.293
MAK-UNK-c8c8f7e2-37
0.293
MAK-UNK-c8c8f7e2-40
0.288
MAK-UNK-c8c8f7e2-30
0.288
MAK-UNK-7a704a63-17
0.288
MAK-UNK-7a704a63-20
0.288
MAK-UNK-10dfa458-32
0.283
MAR-TRE-799db12b-36
0.273
MAK-UNK-7a704a63-22
0.273
MAK-UNK-c8c8f7e2-36
0.270
MAK-UNK-7a704a63-19
0.270
MAR-TRE-9d18ae8c-65
0.270
MAK-UNK-c8c8f7e2-9
0.267
MAK-UNK-7a704a63-4
0.267
MAR-TRE-7f7bb9f0-54
0.265
MAR-TRE-7f7bb9f0-31
0.261
MAK-UNK-c8c8f7e2-38
0.260
MAR-TRE-799db12b-45
0.256
MAK-UNK-7a704a63-5
0.253
MAK-UNK-c8c8f7e2-10
0.253
MAK-UNK-c8c8f7e2-14
0.253
MAK-UNK-7a704a63-2
0.253
MAK-UNK-c8c8f7e2-39
0.250
MAK-UNK-7a704a63-16
0.250
MAK-UNK-c8c8f7e2-42
0.247
BEN-VAN-5787f7d3-7
0.245
BAR-COM-4e090d3a-60
0.244
PET-UNK-4dc48bbe-2
0.244
BEN-VAN-5787f7d3-6
0.242
DAR-DIA-5a24bef0-14
0.242
DAR-DIA-5a24bef0-16
0.242
DAR-DIA-5a24bef0-15
0.242
DOU-UNK-b5326f8f-7
0.240
ALP-POS-95f71980-10
0.239
EDJ-MED-e66f2cc5-2
0.238
MAK-UNK-7a704a63-3
0.234