Molecular Properties | |
SMILES: | CC[C@H](c1ccc2c(c1)OCO2)[C@H](O)N(C)C |
MW: | 237.14 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.93 |
cLogP: | 1.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
AAR-POS-0daf6b7e-43
JOH-IMS-7e73aedd-7
0.519
JOH-IMS-0f19a540-1
0.519
JOH-IMS-1436231f-3
0.429
JOH-IMS-0f19a540-14
0.409
JOH-IMS-0f19a540-8
0.391
JOH-IMS-0f19a540-11
0.388
MAR-TRE-a9136c7b-62
0.365
JOH-IMS-7e73aedd-9
0.362
JOH-IMS-0f19a540-3
0.362
JOH-IMS-4b4cc7e6-4
0.357
JOH-IMS-0f19a540-10
0.356
MAR-TRE-a9136c7b-71
0.355
JOH-IMS-0f19a540-7
0.338
MAR-TRE-e86a56b5-54
0.319
MAR-TRE-fd17a9b8-13
0.315
MAR-TRE-6c5ef77a-13
0.313
CHR-UNL-7577488f-1
0.307
JOH-IMS-7e73aedd-8
0.299
JOH-IMS-0f19a540-2
0.299
JOH-IMS-0f19a540-12
0.297
MAR-TRE-d3c2bf0e-27
0.294
AAR-POS-d2a4d1df-31
0.294
JOH-UNI-e19b918c-4
0.290
JOH-UNI-e19b918c-9
0.288
MAR-TRE-14ce9fd6-23
0.286
JON-UNI-93996c9d-5
0.284
JOH-IMS-7e73aedd-1
0.280
MAR-TRE-e86a56b5-96
0.278
JOH-UNI-e19b918c-8
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AAR-POS-0daf6b7e-43
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SAD-SAT-2ceae68f-8
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MAK-UNK-7c9d1431-14
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MAR-TRE-8190bb11-17
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JOH-IMS-0f19a540-9
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MAR-TRE-fd17a9b8-38
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MAR-TRE-8a25d817-17
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MAR-TRE-9d18ae8c-66
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MAR-TRE-4f781e27-53
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MAR-TRE-aca67d11-9
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MAR-TRE-36bf7dba-42
0.256
JOH-IMS-0f19a540-13
0.253
BRU-UNI-418e22dc-10
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MAR-TRE-a3327163-38
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MAR-TRE-fd17a9b8-77
0.250
NJA-MAN-b9fb953f-2
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LON-WEI-8f408cad-11
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LON-WEI-b8d98729-3
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MAR-TRE-e86a56b5-44
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MAR-TRE-a3327163-47
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ROD-LAS-d5538ff9-5
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MAR-TRE-f5c2d31c-59
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KRI-MAR-d2e3ef86-14
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MAR-TRE-e86a56b5-72
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MAR-TRE-6a44bbf2-94
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MAR-TRE-fd17a9b8-7
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MAR-TRE-d0525fbf-40
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MAR-TRE-0fda4e82-9
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JON-UNI-93996c9d-3
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JOH-UNI-e19b918c-11
0.232
JOH-UNI-e19b918c-10
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LON-WEI-adc59df6-43
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MAR-TRE-e86a56b5-95
0.230
MAR-TRE-e86a56b5-78
0.230
MAR-TRE-d0525fbf-39
0.229
MAR-TRE-a9136c7b-74
0.229
MAR-TRE-6a44bbf2-60
0.229
MAT-POS-b5746674-90
0.227
MAR-TRE-04c86cea-98
0.227
LON-WEI-4d77710c-55
0.227
LON-WEI-5e7d1b3e-55
0.227
MAR-TRE-b77b7921-64
0.227
MAR-TRE-b77b7921-94
0.227
JOH-UNI-e19b918c-3
0.226
JOH-UNI-e19b918c-6
0.226
MAR-TRE-92684b97-22
0.226
MAR-TRE-d0525fbf-19
0.226
ROD-LAS-d5538ff9-6
0.225
ANT-OPE-42b176cc-1
0.222
MAR-TRE-d0525fbf-13
0.220
MAR-TRE-d0525fbf-80
0.220
MAR-TRE-f6f5f473-13
0.220
MAR-TRE-e86a56b5-80
0.220
MAR-TRE-d0525fbf-52
0.219
MAR-TRE-d0525fbf-57
0.218
NAT-WAB-78d8bb1c-1
0.217
ANT-OPE-22dd17b6-1
0.217
MAR-TRE-e86a56b5-4
0.217
MAR-TRE-6a44bbf2-50
0.216
MAR-TRE-dab8f6ea-22
0.216
JOH-UNI-e19b918c-5
0.215
MAR-TRE-04c86cea-61
0.215
MAR-TRE-fd17a9b8-44
0.215
MAR-TRE-04c86cea-37
0.214
JAR-KUA-8c13982c-4
0.213
LON-WEI-ff7b210a-1
0.213
JAR-KUA-8c13982c-12
0.211
MAR-TRE-b77b7921-14
0.211
MAR-TRE-b77b7921-56
0.210
MAR-TRE-7f7bb9f0-28
0.208
MAR-TRE-a9136c7b-21
0.207