Molecular Properties | |
SMILES: | CC(C)(C)OC(=O)CN1C(=O)N[C@](C)(Cc2ccc3c(c2)OCO3)C1=O |
MW: | 362.15 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 94.17 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7963245381 |
hydantoin
Carboxylic acid esters
Ester
MAR-TRE-e86a56b5-72
0.616
MAR-TRE-e86a56b5-78
0.578
MAR-TRE-e86a56b5-95
0.578
MAR-TRE-e86a56b5-80
0.552
MAR-TRE-e86a56b5-4
0.545
AAR-POS-d2a4d1df-31
0.366
JOH-UNI-e19b918c-9
0.362
MAR-TRE-e86a56b5-54
0.353
MAR-TRE-fd17a9b8-13
0.348
JOH-UNI-e19b918c-4
0.345
MAK-UNK-7c9d1431-14
0.345
MAR-TRE-36bf7dba-42
0.323
MAR-TRE-fd17a9b8-77
0.319
MAR-TRE-e86a56b5-96
0.318
JOH-UNI-e19b918c-8
0.318
JOH-IMS-0f19a540-10
0.316
SAD-SAT-2ceae68f-8
0.315
MAR-TRE-8190bb11-17
0.309
MAR-TRE-f5c2d31c-59
0.307
MAR-TRE-d0525fbf-52
0.306
MAR-TRE-d0525fbf-13
0.304
MAR-TRE-fd17a9b8-7
0.303
MAR-TRE-d0525fbf-39
0.303
MAR-TRE-d3c2bf0e-27
0.302
JOH-UNI-e19b918c-11
0.302
LON-WEI-4d77710c-55
0.300
LON-WEI-5e7d1b3e-55
0.300
JOH-IMS-7e73aedd-1
0.290
MAR-TRE-fd17a9b8-38
0.290
MAR-TRE-d0525fbf-19
0.290
MAR-TRE-92684b97-22
0.290
MAR-TRE-d0525fbf-57
0.289
MAR-TRE-04c86cea-37
0.288
JOH-IMS-7e73aedd-9
0.287
JOH-IMS-0f19a540-3
0.287
CHR-UNL-7577488f-1
0.284
MAR-TRE-d0525fbf-40
0.283
JOH-UNI-e19b918c-3
0.283
MAR-LAB-ff9967db-28
0.282
MAR-TRE-d0525fbf-80
0.281
JAR-KUA-8c13982c-12
0.279
MAR-TRE-0fda4e82-9
0.278
DAV-UNK-07f953a2-3
0.278
LON-WEI-ff7b210a-1
0.278
JOH-IMS-0f19a540-2
0.276
JOH-IMS-7e73aedd-8
0.276
MAR-TRE-dab8f6ea-22
0.276
MAR-TRE-a3327163-47
0.276
MAT-POS-b5746674-52
0.274
AAR-POS-0daf6b7e-43
0.273
MAR-TRE-b77b7921-56
0.272
LON-WEI-5e7d1b3e-10
0.270
LON-WEI-4d77710c-10
0.270
BRU-UNI-418e22dc-10
0.269
MAR-TRE-fd17a9b8-44
0.269
YUN-WES-85ecc354-1
0.266
YUN-WES-58b0dbae-6
0.266
MAR-TRE-b77b7921-94
0.265
MAR-TRE-b77b7921-14
0.264
MAR-TRE-a9136c7b-62
0.263
AAR-POS-fca48359-13
0.262
FAR-UNI-9a76d7b5-3
0.262
MAR-TRE-8a25d817-17
0.260
MAR-TRE-9d18ae8c-66
0.260
MAR-TRE-f6f5f473-13
0.259
MAR-TRE-04c86cea-28
0.258
MAR-TRE-aca67d11-9
0.258
MAR-TRE-04c86cea-61
0.257
MAR-TRE-b77b7921-38
0.256
ARI-TAT-5792557e-1
0.255
MAR-TRE-14ce9fd6-23
0.255
MAT-POS-b5746674-90
0.254
MAR-TRE-04c86cea-98
0.254
LON-WEI-8f408cad-11
0.253
LON-WEI-b8d98729-3
0.253
NJA-MAN-b9fb953f-2
0.252
MAR-TRE-b77b7921-37
0.252
KOV-VNK-5e1a909f-6
0.252
BRU-UNI-248b30bc-44
0.252
MAT-POS-b5746674-88
0.250
JOH-IMS-0f19a540-7
0.250
JOH-IMS-7e73aedd-2
0.250
JOH-IMS-0f19a540-12
0.250
MAR-TRE-4f781e27-53
0.248
JOH-IMS-7e73aedd-7
0.247
JOH-IMS-0f19a540-1
0.247
MAR-TRE-3e4e6814-38
0.246
MAR-TRE-a9136c7b-71
0.245
JOH-UNI-e19b918c-6
0.245
MAR-TRE-b77b7921-79
0.243
MAR-TRE-b77b7921-12
0.243
MAR-TRE-b77b7921-64
0.243
JOH-IMS-0f19a540-9
0.242
JOH-IMS-0f19a540-13
0.242
MAR-TRE-74c6519b-22
0.242
MAR-TRE-d3c2bf0e-73
0.241
JON-UNI-93996c9d-5
0.240
ANT-OPE-42b176cc-2
0.239
KOV-VNK-5e1a909f-5
0.233
JOH-IMS-0f19a540-14
0.232