Molecular Properties | |
SMILES: | C[C@H](N[C@@H]1COC[C@H]1O)C(=O)c1ccc2c(c1)OCO2 |
MW: | 279.11 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 77.02 |
cLogP: | 0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
JOH-IMS-0f19a540-7
0.485
CHR-UNL-7577488f-1
0.421
AAR-POS-0daf6b7e-43
0.380
JOH-IMS-0f19a540-13
0.368
JOH-IMS-0f19a540-3
0.348
JOH-IMS-7e73aedd-9
0.348
JOH-IMS-1436231f-1
0.342
MAR-TRE-fd17a9b8-13
0.342
ROD-LAS-d5538ff9-6
0.337
JOH-IMS-7e73aedd-7
0.333
JOH-IMS-0f19a540-1
0.333
MAK-UNK-be5ffcbc-3
0.333
MAR-TRE-e86a56b5-54
0.329
ROD-LAS-d5538ff9-5
0.326
MAK-UNK-748f8b7a-10
0.325
MAR-TRE-a9136c7b-62
0.321
MAR-TRE-8a25d817-17
0.321
JOH-IMS-0f19a540-14
0.321
MAR-TRE-aca67d11-9
0.317
JOH-UNI-e19b918c-6
0.314
NJA-MAN-b9fb953f-2
0.307
AAR-POS-d2a4d1df-31
0.307
JOH-IMS-0f19a540-10
0.304
JOH-UNI-e19b918c-4
0.303
JOH-IMS-7e73aedd-2
0.297
MAR-TRE-a3327163-38
0.293
JOH-IMS-0f19a540-2
0.293
JOH-IMS-7e73aedd-8
0.293
JOH-IMS-7e73aedd-1
0.293
JOH-IMS-0f19a540-8
0.293
MAK-UNK-7c9d1431-14
0.287
JOH-IMS-0f19a540-11
0.287
MAR-TRE-a9136c7b-71
0.284
MAR-TRE-fd17a9b8-77
0.279
MAR-TRE-6c5ef77a-13
0.273
SAD-SAT-2ceae68f-8
0.272
BRU-UNI-248b30bc-1
0.270
MAR-TRE-8190bb11-17
0.270
JOH-UNI-e19b918c-10
0.268
JOH-IMS-0f19a540-9
0.267
MAT-POS-b5746674-30
0.266
JAR-KUA-8c13982c-12
0.266
JON-UNI-93996c9d-5
0.265
LON-WEI-4d77710c-55
0.265
LON-WEI-5e7d1b3e-55
0.265
MAR-TRE-fd17a9b8-7
0.264
JON-UNI-93996c9d-3
0.261
MAK-UNK-be5ffcbc-5
0.260
MAR-TRE-e86a56b5-96
0.259
MAR-TRE-4f781e27-53
0.258
MAR-TRE-9d18ae8c-66
0.258
JOH-UNI-e19b918c-8
0.256
MAR-TRE-fd17a9b8-44
0.255
DAV-UNK-07f953a2-3
0.255
MAR-TRE-a3327163-77
0.253
BRU-UNI-418e22dc-10
0.253
JOH-UNI-e19b918c-9
0.250
LON-WEI-8f408cad-11
0.250
LON-WEI-b8d98729-3
0.250
MAR-TRE-e86a56b5-44
0.250
MAR-TRE-d0525fbf-40
0.248
MAR-TRE-6a44bbf2-60
0.247
MAR-TRE-2fd8122f-71
0.245
JAR-KUA-8c13982c-15
0.245
MAR-TRE-d0525fbf-39
0.243
MAR-TRE-f5c2d31c-59
0.242
MAR-TRE-36bf7dba-42
0.242
MAK-UNK-d508046f-20
0.241
MAT-POS-b5746674-90
0.240
MAR-TRE-92684b97-22
0.240
MAR-TRE-e86a56b5-72
0.238
MAT-POS-b5746674-88
0.236
JOH-UNI-e19b918c-5
0.236
MAR-TRE-0fda4e82-9
0.236
MAK-UNK-919546f0-6
0.235
MAR-TRE-a3327163-47
0.233
JOH-UNI-e19b918c-11
0.233
LON-WEI-4d77710c-10
0.233
LON-WEI-5e7d1b3e-10
0.233
WIL-UCB-7ba4ac3a-1
0.233
MAR-TRE-fd17a9b8-38
0.233
KEI-TRE-fa9ada3e-15
0.232
MAR-TRE-e86a56b5-78
0.232
MAR-TRE-e86a56b5-95
0.232
LON-WEI-adc59df6-43
0.231
MAR-TRE-a9136c7b-74
0.231
KRI-MAR-d2e3ef86-14
0.229
BRU-UNI-248b30bc-7
0.228
MAT-POS-b5746674-52
0.226
MAR-TRE-d3c2bf0e-27
0.225
ALP-POS-bea7b391-1
0.223
MAR-TRE-7f7bb9f0-28
0.223
KEI-TRE-d5e2018a-5
0.223
YUN-WES-58b0dbae-6
0.223
YUN-WES-85ecc354-1
0.223
JOH-UNI-e19b918c-12
0.222
MAR-TRE-e86a56b5-80
0.222
MAR-TRE-d0525fbf-52
0.221
MAR-TRE-d0525fbf-57
0.220
BRU-UNI-248b30bc-2
0.218