Molecular Properties | |
SMILES: | CC(O)CNC(=O)C(=O)NCc1ccc2c(c1)OCO2 |
MW: | 280.11 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 96.89 |
cLogP: | -0.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7575520521 |
MolPort: | MolPort-002-004-328 |
alpha_dicarbonyl
diketo group
α-Diketones
Filter41_12_dicarbonyl
1,2-dicarbonyl not in ring
Long aliphatic chain
Oxalyl
AAR-POS-d2a4d1df-31
0.556
MAR-TRE-fd17a9b8-7
0.554
JOH-UNI-e19b918c-4
0.547
MAR-TRE-fd17a9b8-77
0.486
JOH-IMS-0f19a540-10
0.429
MAR-TRE-e86a56b5-54
0.423
MAR-TRE-f5c2d31c-59
0.422
LON-WEI-5e7d1b3e-55
0.418
LON-WEI-4d77710c-55
0.418
LON-WEI-5e7d1b3e-10
0.396
LON-WEI-4d77710c-10
0.396
MAR-TRE-d0525fbf-52
0.396
MAR-TRE-92684b97-22
0.393
MAR-TRE-d0525fbf-39
0.391
MAR-TRE-a3327163-47
0.388
YUN-WES-58b0dbae-6
0.383
YUN-WES-85ecc354-1
0.383
MAR-TRE-d0525fbf-80
0.375
MAK-UNK-7c9d1431-14
0.373
MAR-TRE-0fda4e82-9
0.358
JOH-UNI-e19b918c-9
0.357
DAV-UNK-07f953a2-3
0.357
SAD-SAT-2ceae68f-8
0.355
MAR-LAB-ff9967db-28
0.355
MAR-TRE-fd17a9b8-44
0.352
ARI-TAT-5792557e-1
0.350
MAR-TRE-e86a56b5-44
0.348
MAR-TRE-8190bb11-17
0.345
JOH-UNI-e19b918c-8
0.342
JOH-IMS-0f19a540-12
0.342
JOH-IMS-7e73aedd-1
0.342
MAR-TRE-d0525fbf-13
0.333
JOH-IMS-7e73aedd-7
0.333
JOH-IMS-0f19a540-1
0.333
MAR-TRE-e86a56b5-72
0.330
JOH-IMS-0f19a540-3
0.328
JOH-IMS-7e73aedd-9
0.328
MAR-TRE-fd17a9b8-38
0.325
MAR-TRE-e86a56b5-96
0.325
MAR-TRE-d3c2bf0e-27
0.324
MAR-TRE-d0525fbf-40
0.323
NJA-MAN-b9fb953f-2
0.322
CHR-UNL-7577488f-1
0.317
JOH-IMS-7e73aedd-2
0.315
MAR-TRE-e86a56b5-78
0.315
MAR-TRE-e86a56b5-95
0.315
MAR-TRE-36bf7dba-42
0.314
MAR-TRE-14ce9fd6-23
0.313
JOH-IMS-0f19a540-7
0.312
MAR-TRE-a9136c7b-62
0.306
ANT-OPE-22dd17b6-1
0.306
MAR-TRE-d0525fbf-57
0.304
JOH-IMS-0f19a540-14
0.304
MAR-TRE-e86a56b5-80
0.301
MAR-TRE-e86a56b5-4
0.298
JOH-IMS-0f19a540-8
0.293
MAR-TRE-d0525fbf-19
0.292
JOH-UNI-e19b918c-11
0.291
MAR-TRE-b77b7921-94
0.290
AAR-POS-0daf6b7e-43
0.289
MAR-TRE-8a25d817-17
0.289
JOH-IMS-0f19a540-11
0.287
MAR-TRE-aca67d11-9
0.286
BRU-UNI-248b30bc-44
0.284
JOH-UNI-e19b918c-3
0.284
MAR-TRE-a9136c7b-71
0.284
JOH-IMS-0f19a540-13
0.284
MAR-TRE-f6f5f473-32
0.283
ANT-OPE-42b176cc-2
0.282
JON-UNI-93996c9d-5
0.280
LON-WEI-ff7b210a-1
0.278
MAR-TRE-b77b7921-64
0.277
MAR-TRE-04c86cea-37
0.277
JON-UNI-93996c9d-3
0.275
MAR-TRE-b77b7921-56
0.272
MAR-TRE-4f781e27-53
0.272
BRU-UNI-418e22dc-10
0.268
MAR-TRE-04c86cea-61
0.268
NAT-WAB-78d8bb1c-2
0.266
MAR-TRE-04c86cea-98
0.265
MAR-TRE-dab8f6ea-22
0.264
MAR-TRE-6a44bbf2-60
0.263
MAR-TRE-b77b7921-14
0.263
MAT-POS-b5746674-52
0.262
KOV-VNK-5e1a909f-6
0.262
MAR-TRE-9d18ae8c-66
0.258
ROD-LAS-d5538ff9-5
0.258
MAR-TRE-f6f5f473-13
0.257
ANT-OPE-224c11b5-1
0.256
MAR-TRE-6c5ef77a-13
0.256
MAR-TRE-3e4e6814-38
0.254
MAR-TRE-6a44bbf2-94
0.253
JOH-IMS-0f19a540-9
0.253
VIJ-CYC-1a381570-7
0.253
ROD-LAS-d5538ff9-6
0.253
JAR-KUA-8c13982c-12
0.253
MAR-TRE-a3327163-38
0.253
MAR-TRE-b77b7921-12
0.252
MAR-TRE-b77b7921-79
0.252
KOV-VNK-5e1a909f-5
0.252