Molecular Properties | |
SMILES: | C[C@@H](O)[C@H](c1ccc2c(c1)OCO2)N(C)C |
MW: | 223.12 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.93 |
cLogP: | 1.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-43
JOH-IMS-7e73aedd-7
1.000
JOH-IMS-7e73aedd-2
0.519
JOH-IMS-0f19a540-14
0.435
JOH-IMS-0f19a540-8
0.415
JOH-IMS-0f19a540-11
0.413
MAR-TRE-a9136c7b-62
0.386
JOH-IMS-0f19a540-10
0.382
JOH-IMS-0f19a540-3
0.364
JOH-IMS-7e73aedd-9
0.364
JOH-IMS-0f19a540-7
0.359
MAR-TRE-a9136c7b-71
0.356
MAR-TRE-fd17a9b8-13
0.333
JOH-IMS-0f19a540-12
0.333
MAR-TRE-e86a56b5-54
0.318
JOH-IMS-0f19a540-2
0.317
JOH-IMS-7e73aedd-8
0.317
JON-UNI-93996c9d-5
0.300
JOH-IMS-7e73aedd-1
0.296
AAR-POS-d2a4d1df-31
0.292
AAR-POS-0daf6b7e-43
0.292
MAR-TRE-6c5ef77a-13
0.292
MAR-TRE-d3c2bf0e-27
0.292
JOH-UNI-e19b918c-4
0.288
CHR-UNL-7577488f-1
0.288
JOH-UNI-e19b918c-9
0.286
JOH-IMS-0f19a540-9
0.284
NJA-MAN-b9fb953f-2
0.278
JOH-UNI-e19b918c-8
0.273
SAD-SAT-2ceae68f-8
0.271
MAK-UNK-7c9d1431-14
0.271
MAR-TRE-aca67d11-9
0.270
MAR-TRE-36bf7dba-42
0.269
JOH-IMS-0f19a540-13
0.268
BRU-UNI-418e22dc-10
0.268
MAR-TRE-14ce9fd6-23
0.267
MAR-TRE-a3327163-38
0.265
MAR-TRE-b77b7921-94
0.264
LON-WEI-8f408cad-11
0.263
LON-WEI-b8d98729-3
0.263
MAR-TRE-fd17a9b8-38
0.260
JON-UNI-93996c9d-3
0.259
ANT-OPE-42b176cc-1
0.259
MAR-TRE-d0525fbf-40
0.258
MAR-TRE-e86a56b5-96
0.257
MAR-TRE-8a25d817-17
0.257
MAR-TRE-8190bb11-17
0.253
MAR-TRE-e86a56b5-44
0.247
MAR-TRE-fd17a9b8-7
0.247
MAR-TRE-fd17a9b8-77
0.247
MAR-TRE-a3327163-47
0.244
ROD-LAS-d5538ff9-5
0.241
MAR-TRE-4f781e27-53
0.241
MAR-TRE-9d18ae8c-66
0.241
MAR-TRE-a9136c7b-74
0.241
MAR-TRE-f5c2d31c-59
0.238
JOH-UNI-e19b918c-6
0.237
LON-WEI-5e7d1b3e-55
0.237
LON-WEI-4d77710c-55
0.237
MAR-TRE-04c86cea-37
0.237
MAR-TRE-d0525fbf-19
0.236
JAR-KUA-8c13982c-12
0.235
ROD-LAS-d5538ff9-6
0.235
MAR-TRE-b77b7921-56
0.232
ANT-OPE-22dd17b6-1
0.231
MAR-TRE-0fda4e82-9
0.231
JOH-UNI-e19b918c-5
0.230
MAR-TRE-f6f5f473-13
0.229
MAR-TRE-d0525fbf-13
0.229
JOH-UNI-e19b918c-11
0.228
LON-WEI-adc59df6-43
0.227
MAR-TRE-d0525fbf-57
0.227
MAR-TRE-e86a56b5-78
0.226
MAR-TRE-e86a56b5-95
0.226
MAR-TRE-d0525fbf-39
0.226
JOH-UNI-e19b918c-10
0.226
MAR-TRE-04c86cea-61
0.225
MAR-TRE-6a44bbf2-60
0.224
JAR-KUA-8c13982c-4
0.224
MAR-TRE-04c86cea-98
0.223
MAR-TRE-b77b7921-64
0.223
KRI-MAR-d2e3ef86-14
0.223
MAT-POS-b5746674-90
0.223
BRU-UNI-248b30bc-44
0.223
JOH-UNI-e19b918c-3
0.222
MAT-POS-b5746674-88
0.220
MAR-TRE-b77b7921-14
0.220
MAR-TRE-e86a56b5-72
0.220
KEI-TRE-d5e2018a-5
0.218
MAR-TRE-7f7bb9f0-28
0.217
MAR-TRE-e86a56b5-80
0.216
JAR-KUA-8c13982c-15
0.215
MAR-TRE-2fd8122f-71
0.215
MAR-TRE-e86a56b5-4
0.213
MAR-TRE-dab8f6ea-22
0.212
ANT-OPE-42b176cc-2
0.211
MAR-TRE-fd17a9b8-44
0.211
MAR-TRE-b77b7921-12
0.211
MAR-TRE-b77b7921-79
0.211
MAR-TRE-92684b97-22
0.209
LON-WEI-ff7b210a-1
0.209