Molecular Properties | |
SMILES: | CCCC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1 |
MW: | 275.15 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 38.77 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7133808223 |
Ketone
JOH-IMS-0f19a540-7
0.471
AAR-POS-0daf6b7e-43
0.429
JOH-IMS-0f19a540-12
0.421
MAR-TRE-8a25d817-17
0.362
JOH-IMS-0f19a540-13
0.359
MAR-TRE-aca67d11-9
0.358
JOH-IMS-0f19a540-3
0.338
JOH-IMS-7e73aedd-9
0.338
JOH-UNI-e19b918c-6
0.337
MAR-TRE-a3327163-38
0.330
MAR-TRE-fd17a9b8-13
0.317
AAR-POS-d2a4d1df-31
0.316
ROD-LAS-d5538ff9-6
0.315
MAK-UNK-7c9d1431-14
0.312
JOH-IMS-7e73aedd-2
0.307
MAR-TRE-e86a56b5-54
0.304
LON-WEI-8f408cad-11
0.302
LON-WEI-b8d98729-3
0.302
JOH-IMS-7e73aedd-1
0.301
JOH-UNI-e19b918c-8
0.299
MAT-POS-b5746674-30
0.296
SAD-SAT-2ceae68f-8
0.296
JOH-IMS-0f19a540-10
0.296
JOH-UNI-e19b918c-4
0.295
JOH-UNI-e19b918c-9
0.293
ROD-LAS-d5538ff9-5
0.292
JOH-IMS-7e73aedd-7
0.288
JOH-IMS-0f19a540-1
0.288
JOH-IMS-0f19a540-2
0.286
JOH-IMS-7e73aedd-8
0.286
NJA-MAN-b9fb953f-2
0.286
MAR-TRE-e86a56b5-44
0.284
ROD-UFR-0ea09143-1
0.284
MAR-TRE-a9136c7b-62
0.284
MAR-TRE-6c5ef77a-13
0.282
MAR-TRE-e86a56b5-95
0.280
ROD-UFR-d5063330-1
0.278
MAR-TRE-fd17a9b8-44
0.276
MAR-TRE-fd17a9b8-77
0.273
MAT-POS-b5746674-90
0.272
MAR-TRE-fd17a9b8-7
0.272
MAR-TRE-fd17a9b8-38
0.271
JOH-IMS-0f19a540-8
0.271
MAR-TRE-e86a56b5-72
0.270
MAR-TRE-e86a56b5-80
0.268
MAR-TRE-d0525fbf-40
0.267
MAR-TRE-e86a56b5-78
0.266
MAR-TRE-4f781e27-53
0.266
MAR-TRE-d3c2bf0e-27
0.266
BRU-UNI-248b30bc-1
0.265
JOH-IMS-0f19a540-14
0.265
JOH-IMS-0f19a540-11
0.265
MAR-TRE-a9136c7b-71
0.264
MAR-TRE-8190bb11-17
0.264
MAR-TRE-36bf7dba-42
0.264
MAR-TRE-f5c2d31c-59
0.263
MAR-TRE-a3327163-77
0.263
DAV-UNK-07f953a2-3
0.262
JOH-IMS-0f19a540-9
0.261
JOH-UNI-e19b918c-10
0.260
JON-UNI-93996c9d-5
0.259
JON-UNI-93996c9d-3
0.255
MAR-TRE-9d18ae8c-66
0.253
MAR-TRE-2fd8122f-71
0.252
JOH-UNI-e19b918c-3
0.250
LON-WEI-4d77710c-55
0.248
LON-WEI-5e7d1b3e-55
0.248
MAR-TRE-b77b7921-64
0.248
ROD-LAS-d5538ff9-8
0.247
BRU-UNI-418e22dc-10
0.247
JOH-UNI-e19b918c-12
0.247
MAR-TRE-6a44bbf2-94
0.247
BRU-UNI-248b30bc-44
0.246
MAT-POS-b5746674-52
0.245
MAT-POS-b5746674-88
0.243
JOH-UNI-e19b918c-11
0.242
MAR-TRE-6a44bbf2-60
0.241
JAR-KUA-8c13982c-15
0.240
ARI-TAT-5792557e-1
0.240
MAR-TRE-e86a56b5-4
0.240
MAR-TRE-d3c2bf0e-26
0.239
MAR-TRE-d0525fbf-57
0.239
MAR-TRE-e86a56b5-96
0.238
MAR-TRE-d0525fbf-39
0.238
MAR-TRE-b77b7921-79
0.236
MAR-TRE-04c86cea-37
0.236
KRI-MAR-d2e3ef86-14
0.236
MAR-TRE-92684b97-22
0.235
MAR-TRE-d0525fbf-19
0.235
JAR-KUA-8c13982c-12
0.235
ROD-UFR-7c6582a7-1
0.234
MAR-TRE-14ce9fd6-23
0.233
MAR-TRE-b77b7921-14
0.233
ROD-UFR-87309d29-1
0.232
MAR-TRE-b77b7921-56
0.231
MAR-TRE-7f7bb9f0-28
0.231
MAK-UNK-7c9d1431-2
0.231
MAR-TRE-6a44bbf2-36
0.231
MAR-TRE-0fda4e82-9
0.231
JOH-UNI-e19b918c-5
0.230