Molecular Properties | |
SMILES: | O=C1Nc2ccccc2OC1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 |
MW: | 409.16 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.34 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2405993978 |
MolPort: | MolPort-007-666-356 |
MAK-UNK-7c9d1431-14
0.530
SAD-SAT-2ceae68f-8
0.460
MAR-TRE-6a44bbf2-54
0.396
MAK-UNK-7c9d1431-16
0.396
MAR-TRE-fd17a9b8-38
0.383
JOH-UNI-e19b918c-9
0.352
MAR-TRE-fd17a9b8-44
0.349
JOH-UNI-e19b918c-8
0.341
MAK-UNK-7c9d1431-18
0.337
MAR-TRE-3e4e6814-38
0.325
JOH-UNI-e19b918c-11
0.324
LON-WEI-ff7b210a-1
0.321
MAR-TRE-d0525fbf-19
0.321
JOH-UNI-e19b918c-3
0.317
MAR-TRE-04c86cea-61
0.312
MAR-TRE-e86a56b5-96
0.312
BRU-UNI-248b30bc-44
0.312
AAR-POS-d2a4d1df-31
0.312
MAR-TRE-d3c2bf0e-27
0.312
MAR-TRE-b77b7921-94
0.308
MAR-TRE-b77b7921-14
0.307
MAR-TRE-e86a56b5-78
0.306
MAR-TRE-d0525fbf-40
0.303
MAR-TRE-b77b7921-56
0.303
MAR-TRE-d0525fbf-13
0.300
AAR-POS-d2a4d1df-24
0.298
MAR-TRE-b77b7921-64
0.297
MAR-TRE-b77b7921-79
0.297
SAD-SAT-5b1897b2-5
0.296
MAR-TRE-e86a56b5-72
0.296
MAR-TRE-04c86cea-28
0.295
MAR-TRE-e86a56b5-80
0.295
MAR-TRE-b77b7921-38
0.295
MAR-TRE-e86a56b5-95
0.294
MAK-UNK-7c9d1431-24
0.292
DRR-IMP-38dce17f-3
0.292
FAR-UNI-9a76d7b5-3
0.290
AAR-POS-fca48359-13
0.290
TAM-UNI-d1c3dd9f-5
0.290
MAR-TRE-fd17a9b8-77
0.288
JOH-UNI-0e1753c1-3
0.287
AAR-POS-d2a4d1df-35
0.287
MED-COV-4280ac29-15
0.287
HYO-UNK-49a60884-1
0.287
DAV-UNK-07f953a2-3
0.287
MAR-TRE-d0525fbf-57
0.287
LON-WEI-4d77710c-55
0.286
LON-WEI-5e7d1b3e-55
0.286
MAR-TRE-04c86cea-98
0.286
MAR-TRE-04c86cea-37
0.286
MAR-TRE-b77b7921-37
0.283
JOH-UNI-e19b918c-4
0.281
DRR-IMP-38dce17f-2
0.281
MAR-TRE-e86a56b5-4
0.281
MAR-TRE-d0525fbf-80
0.279
MAK-UNK-cd94b63c-1
0.278
MAK-UNK-176ca439-3
0.278
VIT-UNK-2a0afa28-1
0.277
DRR-IMP-38dce17f-7
0.277
MAK-UNK-6ca90168-14
0.277
MAR-TRE-e86a56b5-54
0.276
MAK-UNK-7c9d1431-21
0.276
MAR-TRE-fd17a9b8-7
0.275
MAR-TRE-b77b7921-12
0.275
MAK-UNK-7c9d1431-29
0.275
MAR-TRE-e86a56b5-44
0.274
MAR-TRE-dab8f6ea-22
0.274
JOK-SYG-18591e8f-1
0.273
MAR-TRE-74c6519b-22
0.272
BRU-UNI-248b30bc-7
0.271
MAT-POS-ee51dedd-1
0.270
MAR-TRE-f6f5f473-32
0.270
STE-KUL-2e0d2e88-7
0.269
MAR-TRE-d0525fbf-52
0.269
MAR-TRE-f6f5f473-13
0.268
MAR-TRE-f5c2d31c-59
0.268
MAK-UNK-b1d4dcd7-4
0.267
JOH-IMS-0f19a540-10
0.267
MAR-TRE-92684b97-22
0.265
KOV-VNK-5e1a909f-5
0.264
TAM-UNI-d1c3dd9f-12
0.264
MAK-UNK-7c9d1431-28
0.263
MAK-UNK-849bee6c-5
0.263
MAR-TRE-fd17a9b8-13
0.262
JOH-IMS-7e73aedd-1
0.262
KOV-VNK-5e1a909f-6
0.262
MAK-UNK-176ca439-4
0.261
MAK-UNK-3c359d2a-1
0.261
JOH-UNI-0e1753c1-2
0.260
NEH-REV-107bcf72-3
0.260
VIT-UNK-2a0afa28-3
0.260
SEA-TRI-146a67b6-1
0.259
VIT-UNK-cff011c0-1
0.259
LON-WEI-4d77710c-10
0.258
LON-WEI-5e7d1b3e-10
0.258
PAU-UNI-8cdd41c7-1
0.258
SAD-SAT-581007d4-7
0.258
JIA-UNI-93b03cae-1
0.258
AAR-POS-0daf6b7e-43
0.258
MAT-POS-2db6411e-2
0.258