Molecular Properties | |
SMILES: | O=C(NCc1cccnc1)C1CCN(Cc2ccc3c(c2)OCO3)CC1 |
MW: | 353.17 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 63.69 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9239652998 |
MolPort: | MolPort-002-087-310 |
MAK-UNK-7c9d1431-14
0.481
MAR-TRE-fd17a9b8-92
0.430
SAD-SAT-2ceae68f-8
0.429
MAR-TRE-fd17a9b8-77
0.411
AAR-POS-d2a4d1df-31
0.402
JOH-UNI-e19b918c-4
0.398
MAR-TRE-fd17a9b8-38
0.382
JOH-UNI-e19b918c-8
0.369
WIL-UNI-5578df48-17
0.362
MAR-TRE-fd17a9b8-7
0.361
MAR-TRE-92684b97-22
0.356
MAR-TRE-fd17a9b8-13
0.352
ANT-DIA-045cfdc4-5
0.351
MAR-TRE-f5c2d31c-59
0.350
JOH-UNI-e19b918c-9
0.349
MAT-POS-b5746674-52
0.349
MAK-UNK-7c9d1431-16
0.348
MAR-TRE-6a44bbf2-54
0.348
MAR-TRE-d0525fbf-52
0.346
LON-WEI-4d77710c-10
0.346
LON-WEI-5e7d1b3e-10
0.346
SAD-SAT-7d5528d9-7
0.343
MAR-TRE-d0525fbf-39
0.343
DRR-IMP-38dce17f-4
0.341
JOH-UNI-e19b918c-3
0.340
MAR-TRE-d0525fbf-57
0.339
MAR-TRE-0fda4e82-9
0.337
MAR-TRE-3159af1a-21
0.336
JOH-UNI-e19b918c-11
0.333
MAR-TRE-d0525fbf-40
0.333
SAD-SAT-135344c3-9
0.333
MAR-TRE-d0525fbf-80
0.330
MAR-TRE-d0525fbf-13
0.330
MAR-TRE-3159af1a-1
0.330
MAR-TRE-d0525fbf-19
0.330
LON-WEI-120e5cf5-11
0.326
MAR-TRE-e86a56b5-54
0.326
MAR-TRE-7f7bb9f0-28
0.324
MAR-TRE-fd17a9b8-62
0.323
MAR-TRE-d3c2bf0e-27
0.322
MAR-TRE-04c86cea-61
0.321
BEN-DND-031a96cc-1
0.320
YUN-WES-58b0dbae-6
0.320
YUN-WES-85ecc354-1
0.320
BRU-UNI-248b30bc-44
0.319
DAV-UNK-07f953a2-3
0.316
MAR-TRE-b77b7921-79
0.315
GIA-UNK-5ec6c2b8-3
0.313
MAR-TRE-8190bb11-17
0.313
MAR-TRE-2fd8122f-33
0.312
BEN-DND-031a96cc-3
0.310
MAR-TRE-b77b7921-56
0.310
CHA-MCP-85291e1d-7
0.309
SAD-SAT-29425be4-9
0.308
SAD-SAT-b55127ae-4
0.307
MAR-TRE-3159af1a-99
0.306
MAR-TRE-3159af1a-75
0.306
SER-UNI-985a0e14-2
0.306
MAK-UNK-7c9d1431-18
0.305
MAR-TRE-b77b7921-94
0.304
MAR-TRE-04c86cea-37
0.304
MAR-TRE-b77b7921-12
0.304
MAR-TRE-b77b7921-64
0.304
LON-WEI-5e7d1b3e-55
0.304
LON-WEI-4d77710c-55
0.304
MAR-TRE-b77b7921-14
0.303
MAR-TRE-e86a56b5-72
0.303
MAR-TRE-3e4e6814-38
0.301
MAR-TRE-74c6519b-22
0.299
MAR-TRE-2fd8122f-71
0.297
MAR-TRE-f6f5f473-32
0.297
MAR-TRE-fd17a9b8-79
0.296
FAR-UNI-9a76d7b5-3
0.296
AAR-POS-fca48359-13
0.296
WIL-UNI-5578df48-30
0.295
SAD-SAT-29425be4-27
0.295
SAD-SAT-29425be4-29
0.295
JOH-IMS-7e73aedd-1
0.295
MAK-UNK-69bf97dd-9
0.294
KEI-TRE-d5e2018a-5
0.294
LON-WEI-ff7b210a-1
0.294
MAR-TRE-e86a56b5-96
0.293
MAR-TRE-799db12b-52
0.293
MAK-UNK-69bf97dd-1
0.292
AAR-POS-0daf6b7e-43
0.292
MAR-TRE-04c86cea-98
0.292
MAR-TRE-8a25d817-17
0.292
BAR-COM-4e090d3a-69
0.291
MAR-TRE-b77b7921-38
0.290
MAR-TRE-b77b7921-37
0.289
MAR-TRE-3159af1a-44
0.289
JOH-IMS-0f19a540-10
0.289
MAK-UNK-009ebe36-10
0.288
NAU-LAT-64f4b287-9
0.287
JOH-IMS-0f19a540-13
0.287
MAR-TRE-36bf7dba-42
0.287
ARI-TAT-5792557e-1
0.287
MAR-LAB-ff9967db-28
0.286
SAD-SAT-7d5528d9-2
0.286
MAR-TRE-f6f5f473-13
0.284