Molecular Properties | |
SMILES: | O=C1C=CC(=O)N1Cc1ccc2c(c1)OCO2 |
MW: | 231.05 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 55.84 |
cLogP: | 0.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-4234430290 |
MolPort: | MolPort-002-917-342 |
maleimide_etc
phthalimide
Activated double bonds (2)
Filter79_maleimide
vinyl michael acceptor1
AAR-POS-d2a4d1df-31
JOH-UNI-e19b918c-8
0.582
SAD-SAT-2ceae68f-8
0.508
MAK-UNK-7c9d1431-14
0.484
MAR-TRE-d3c2bf0e-27
0.475
JOH-IMS-0f19a540-10
0.436
MAR-TRE-e86a56b5-54
0.429
JOH-UNI-e19b918c-11
0.429
MAR-TRE-e86a56b5-96
0.422
JOH-UNI-e19b918c-4
0.419
MAR-TRE-fd17a9b8-38
0.418
JOH-UNI-e19b918c-3
0.417
MAR-TRE-e86a56b5-95
0.413
MAR-TRE-e86a56b5-78
0.413
LON-WEI-ff7b210a-1
0.412
AAR-POS-d2a4d1df-31
0.403
MAR-TRE-e86a56b5-80
0.392
JOH-IMS-7e73aedd-1
0.377
MAR-TRE-04c86cea-61
0.366
MAR-TRE-e86a56b5-44
0.362
MAR-TRE-d0525fbf-19
0.361
MAR-TRE-36bf7dba-42
0.360
MAR-TRE-8190bb11-17
0.360
MAR-TRE-b77b7921-14
0.357
MAR-TRE-fd17a9b8-13
0.357
MAR-TRE-fd17a9b8-77
0.356
MAR-TRE-e86a56b5-4
0.354
MAT-POS-b5746674-52
0.352
MAR-TRE-fd17a9b8-44
0.349
MAR-TRE-f6f5f473-13
0.344
MAR-TRE-e86a56b5-72
0.341
MAR-TRE-b77b7921-12
0.341
MAR-TRE-b77b7921-64
0.341
MAR-TRE-b77b7921-79
0.341
MAR-TRE-b77b7921-94
0.341
MAR-TRE-04c86cea-37
0.341
MAR-TRE-04c86cea-98
0.341
MAR-TRE-f5c2d31c-59
0.338
MAR-TRE-b77b7921-37
0.337
KOV-VNK-5e1a909f-5
0.337
KOV-VNK-5e1a909f-6
0.333
MAR-TRE-b77b7921-56
0.333
MAR-TRE-fd17a9b8-7
0.333
MAR-TRE-d0525fbf-40
0.333
MAR-TRE-d0525fbf-13
0.330
FAR-UNI-9a76d7b5-3
0.327
AAR-POS-fca48359-13
0.327
MAR-TRE-d0525fbf-57
0.326
MAR-TRE-14ce9fd6-23
0.324
JOH-IMS-0f19a540-3
0.322
JOH-IMS-7e73aedd-9
0.322
MAR-TRE-0fda4e82-9
0.320
MAR-TRE-74c6519b-22
0.319
MAR-TRE-d0525fbf-52
0.318
BRU-UNI-248b30bc-44
0.316
MAR-TRE-f6f5f473-32
0.316
MAR-TRE-a3327163-47
0.316
MAK-UNK-7c9d1431-16
0.314
MAR-TRE-6a44bbf2-54
0.314
KOV-VNK-5e1a909f-7
0.303
MAR-TRE-d0525fbf-80
0.301
MAR-TRE-d0525fbf-39
0.300
ANT-OPE-224c11b5-1
0.299
AAR-POS-0daf6b7e-43
0.299
ANT-OPE-22dd17b6-1
0.297
LON-WEI-4d77710c-55
0.297
LON-WEI-5e7d1b3e-55
0.297
MAR-TRE-b77b7921-38
0.294
MAR-TRE-3e4e6814-38
0.294
CHR-UNL-7577488f-1
0.293
JOH-UNI-e19b918c-14
0.290
JOH-IMS-7e73aedd-2
0.288
JOH-IMS-7e73aedd-7
0.286
JOH-IMS-0f19a540-1
0.286
MAR-TRE-92684b97-22
0.284
MAR-TRE-04c86cea-28
0.283
MAR-TRE-8a25d817-17
0.280
MAR-TRE-6c5ef77a-13
0.279
MAR-TRE-aca67d11-9
0.276
LON-WEI-5e7d1b3e-10
0.275
LON-WEI-4d77710c-10
0.275
BRU-UNI-418e22dc-10
0.274
JOH-IMS-0f19a540-13
0.274
ANT-OPE-42b176cc-2
0.271
DAV-UNK-07f953a2-3
0.271
JON-UNI-93996c9d-5
0.270
MAR-TRE-dab8f6ea-22
0.268
JOH-IMS-0f19a540-7
0.268
JOH-IMS-0f19a540-2
0.265
JOH-IMS-7e73aedd-8
0.265
JOH-IMS-0f19a540-11
0.260
JOH-IMS-0f19a540-14
0.260
JOH-UNI-e19b918c-6
0.259
MAR-TRE-a9136c7b-71
0.259
JOH-UNI-e19b918c-10
0.254
MAR-TRE-6a44bbf2-50
0.254
LON-WEI-b8d98729-3
0.253
LON-WEI-8f408cad-11
0.253
NJA-MAN-b9fb953f-2
0.253
MAR-TRE-66ac689e-19
0.250
MAR-TRE-7f7bb9f0-28
0.250