Molecular Properties | |
SMILES: | OCCOCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 |
MW: | 308.17 |
Fraction sp3: | 0.62 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 54.4 |
cLogP: | 0.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8824196971 |
MolPort: | MolPort-003-180-797 |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
MAK-UNK-7c9d1431-14
0.537
SAD-SAT-2ceae68f-8
0.537
JOH-UNI-e19b918c-9
0.418
MAR-TRE-d3c2bf0e-27
0.400
JOH-UNI-e19b918c-8
0.400
MAT-POS-b5746674-52
0.383
MAR-TRE-fd17a9b8-44
0.382
MAK-UNK-7c9d1431-16
0.373
MAR-TRE-6a44bbf2-54
0.373
JOH-UNI-e19b918c-11
0.370
MAR-TRE-fd17a9b8-7
0.369
JOH-IMS-0f19a540-10
0.364
MAR-TRE-e86a56b5-96
0.360
BRU-UNI-248b30bc-44
0.346
JOH-UNI-e19b918c-3
0.345
AAR-POS-d2a4d1df-31
0.342
JOH-IMS-7e73aedd-1
0.342
JOH-UNI-e19b918c-4
0.338
MAR-TRE-04c86cea-61
0.337
MAR-TRE-d0525fbf-19
0.333
MAR-TRE-b77b7921-79
0.330
MAR-TRE-b77b7921-14
0.330
MAR-TRE-87acfbcc-78
0.329
MAR-TRE-423310b6-11
0.329
MAR-TRE-e86a56b5-54
0.329
MAR-TRE-fd17a9b8-13
0.325
MAR-TRE-b77b7921-12
0.316
MAR-TRE-b77b7921-64
0.316
MAR-TRE-04c86cea-37
0.316
MAR-TRE-04c86cea-98
0.316
MAR-TRE-36bf7dba-42
0.314
MAR-TRE-b77b7921-37
0.313
MAR-TRE-b77b7921-56
0.310
MAR-TRE-d0525fbf-40
0.310
MAR-TRE-fd17a9b8-77
0.310
MAR-TRE-d0525fbf-13
0.307
MAR-TRE-f6f5f473-13
0.307
LON-WEI-ff7b210a-1
0.305
MAR-TRE-d0525fbf-57
0.304
MAR-TRE-b77b7921-94
0.303
MAR-TRE-3e4e6814-38
0.300
MAR-TRE-b77b7921-38
0.300
MAR-TRE-74c6519b-22
0.298
MAR-TRE-14ce9fd6-23
0.298
MAR-TRE-f6f5f473-32
0.295
DAV-UNK-07f953a2-3
0.291
MAR-TRE-e86a56b5-44
0.290
JOH-IMS-7e73aedd-9
0.290
JOH-IMS-0f19a540-3
0.290
MAK-UNK-7c9d1431-18
0.289
MAR-TRE-e86a56b5-72
0.289
MAR-TRE-e86a56b5-78
0.286
MAR-TRE-e86a56b5-95
0.286
MAR-TRE-8190bb11-17
0.284
MAR-TRE-f5c2d31c-59
0.283
MAR-TRE-d0525fbf-39
0.280
MAR-TRE-0fda4e82-9
0.279
MAR-TRE-04c86cea-28
0.278
MAR-TRE-dab8f6ea-22
0.276
MAR-TRE-a3327163-47
0.276
MAR-TRE-e86a56b5-80
0.274
MAR-TRE-6c5ef77a-13
0.273
AAR-POS-0daf6b7e-43
0.273
MAR-TRE-e86a56b5-4
0.271
CHR-UNL-7577488f-1
0.271
KOV-VNK-5e1a909f-5
0.264
JOH-IMS-7e73aedd-2
0.263
KOV-VNK-5e1a909f-6
0.262
JOH-IMS-7e73aedd-7
0.260
JOH-IMS-0f19a540-1
0.260
MAR-TRE-8a25d817-17
0.259
LON-WEI-4d77710c-10
0.257
LON-WEI-5e7d1b3e-10
0.257
MAR-TRE-d0525fbf-52
0.257
MAR-TRE-d0525fbf-80
0.257
JOH-IMS-0f19a540-13
0.253
JAR-KUA-8c13982c-18
0.253
MAR-TRE-92684b97-22
0.253
LON-WEI-5e7d1b3e-55
0.252
LON-WEI-4d77710c-55
0.252
AAR-POS-fca48359-13
0.250
KOV-VNK-5e1a909f-7
0.250
FAR-UNI-9a76d7b5-3
0.250
MAR-LAB-ff9967db-28
0.250
MAR-TRE-a3327163-64
0.247
JOH-IMS-0f19a540-7
0.247
JAR-KUA-672ec752-13
0.244
MAR-TRE-c8530538-62
0.242
MAR-TRE-a3327163-49
0.241
MAR-TRE-aca67d11-9
0.241
SAD-SAT-5b1897b2-5
0.241
JOH-IMS-0f19a540-14
0.241
TAM-UNI-d1c3dd9f-5
0.239
LON-WEI-8f408cad-11
0.236
LON-WEI-b8d98729-3
0.236
JON-UNI-93996c9d-5
0.235
MAR-TRE-7f7bb9f0-28
0.235
TAM-UNI-d1c3dd9f-19
0.235
YUN-WES-58b0dbae-6
0.233
YUN-WES-85ecc354-1
0.233