Molecular Properties | |
SMILES: | O=C(O)C1CCCCC1C(=O)NCc1ccc2c(c1)OCO2 |
MW: | 305.13 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 84.86 |
cLogP: | 1.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2800474568 |
MolPort: | MolPort-001-491-081 |
AAR-POS-d2a4d1df-31
0.522
JOH-UNI-e19b918c-4
0.515
MAR-TRE-fd17a9b8-13
0.486
MAR-TRE-fd17a9b8-7
0.434
MAR-TRE-fd17a9b8-44
0.411
MAR-TRE-f5c2d31c-59
0.402
MAR-TRE-d0525fbf-52
0.394
MAR-TRE-e86a56b5-54
0.382
LON-WEI-5e7d1b3e-10
0.379
LON-WEI-4d77710c-10
0.379
MAR-TRE-92684b97-22
0.376
MAR-TRE-d0525fbf-39
0.375
MAR-TRE-e86a56b5-72
0.372
MAK-UNK-7c9d1431-14
0.372
LON-WEI-5e7d1b3e-55
0.371
LON-WEI-4d77710c-55
0.371
JOH-UNI-e19b918c-8
0.360
MAR-TRE-d0525fbf-80
0.360
JOH-UNI-e19b918c-9
0.356
SAD-SAT-2ceae68f-8
0.354
YUN-WES-58b0dbae-6
0.345
YUN-WES-85ecc354-1
0.345
JOH-UNI-e19b918c-3
0.345
DAV-UNK-07f953a2-3
0.343
JOH-IMS-0f19a540-10
0.343
MAR-TRE-d3c2bf0e-27
0.342
MAR-TRE-e86a56b5-96
0.342
MAR-TRE-0fda4e82-9
0.341
JOH-UNI-e19b918c-11
0.337
MAR-TRE-a3327163-47
0.337
MAR-TRE-8190bb11-17
0.330
JOH-IMS-0f19a540-7
0.329
ARI-TAT-5792557e-1
0.328
MAR-TRE-e86a56b5-44
0.319
MAR-LAB-ff9967db-28
0.319
JOH-IMS-0f19a540-13
0.317
MAR-TRE-36bf7dba-42
0.315
MAR-TRE-d0525fbf-40
0.311
MAR-TRE-fd17a9b8-38
0.310
JOH-IMS-7e73aedd-1
0.310
AAR-POS-0daf6b7e-43
0.308
MAR-TRE-d0525fbf-13
0.308
MAR-TRE-d0525fbf-19
0.306
MAR-TRE-d0525fbf-57
0.305
MAR-TRE-e86a56b5-80
0.302
MAR-TRE-e86a56b5-78
0.301
MAR-TRE-e86a56b5-95
0.301
MAR-TRE-e86a56b5-4
0.299
MAR-TRE-b77b7921-56
0.298
LON-WEI-ff7b210a-1
0.293
JOH-IMS-0f19a540-3
0.292
JOH-IMS-7e73aedd-9
0.292
MAR-TRE-dab8f6ea-22
0.290
JOH-IMS-0f19a540-11
0.289
MAT-POS-b5746674-52
0.288
MAR-TRE-aca67d11-9
0.287
MAR-TRE-04c86cea-61
0.283
NJA-MAN-b9fb953f-2
0.280
JOH-IMS-0f19a540-12
0.279
JOH-IMS-0f19a540-8
0.279
MAR-TRE-3e4e6814-38
0.278
MAR-TRE-8a25d817-17
0.276
BRU-UNI-248b30bc-44
0.274
MAR-TRE-f6f5f473-32
0.273
CHR-UNL-7577488f-1
0.273
JOH-UNI-e19b918c-6
0.272
MAR-TRE-f6f5f473-13
0.271
MAR-TRE-14ce9fd6-23
0.270
MAR-TRE-b77b7921-64
0.267
MAR-TRE-b77b7921-94
0.267
LON-WEI-8f408cad-11
0.267
LON-WEI-b8d98729-3
0.267
MAR-TRE-04c86cea-98
0.267
KOV-VNK-5e1a909f-5
0.266
MAR-TRE-b77b7921-14
0.265
MAR-TRE-b77b7921-37
0.264
MAR-TRE-9d18ae8c-66
0.260
JOH-IMS-0f19a540-14
0.259
MAR-TRE-04c86cea-28
0.258
MAR-TRE-a9136c7b-71
0.258
MAR-TRE-b77b7921-38
0.256
MAR-TRE-04c86cea-37
0.255
MAR-TRE-b77b7921-12
0.255
MAR-TRE-b77b7921-79
0.255
JON-UNI-93996c9d-5
0.253
KOV-VNK-5e1a909f-6
0.252
MAR-TRE-74c6519b-22
0.252
BRU-UNI-248b30bc-7
0.252
FAR-UNI-9a76d7b5-3
0.252
AAR-POS-fca48359-13
0.252
MAR-TRE-7f7bb9f0-28
0.250
JOH-IMS-7e73aedd-2
0.250
ROD-LAS-d5538ff9-5
0.248
MAR-TRE-4f781e27-53
0.247
AAR-UNI-c25c2f1e-3
0.247
ROD-UFR-74bef589-1
0.247
JOH-IMS-7e73aedd-8
0.247
JOH-IMS-0f19a540-2
0.247
JOH-IMS-7e73aedd-7
0.247
JOH-IMS-0f19a540-1
0.247