Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
MW: | 493.615 |
Fraction sp3: | 0.24 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 86.28 |
cLogP: | 4.59032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-123057 |
Enamine SCR: | Z1546624232 |
Mcule: | MCULE-6955669422 |
MolPort: | MolPort-003-986-615 |
JOH-UNI-114aab7b-1
1.000
JOH-UNI-bfb4c0fd-1
0.698
SAD-SAT-135344c3-9
0.314
MAR-UCB-195bc32d-35
0.308
BEN-DND-93268d01-9
0.305
BEN-DND-09b88bf4-5
0.305
KEI-TRE-d5e2018a-36
0.302
JOR-UNI-2fc98d0b-11
0.298
KEI-TRE-d5e2018a-91
0.297
JOR-UNI-2fc98d0b-5
0.287
MAR-TRE-c8530538-62
0.283
MAK-UNK-129dcd6f-12
0.278
JOR-UNI-61e7b1d5-28
0.278
ARI-TAT-5792557e-12
0.277
KEI-TRE-d5e2018a-100
0.275
SAD-SAT-7d5528d9-1
0.275
JOR-UNI-61e7b1d5-15
0.275
SAD-SAT-135344c3-7
0.273
KEI-TRE-d5e2018a-82
0.270
MAR-TRE-f6f5f473-75
0.269
SAD-SAT-7d5528d9-7
0.268
MAR-TRE-04c86cea-65
0.268
MAK-UNK-849bee6c-1
0.268
JOR-UNI-61e7b1d5-14
0.268
MAR-TRE-a9136c7b-89
0.267
MAR-TRE-4b834d9a-57
0.267
JOR-UNI-61e7b1d5-29
0.263
MAR-TRE-2fd8122f-82
0.263
MAR-TRE-3e4e6814-45
0.258
MAR-TRE-04c86cea-90
0.258
MAR-TRE-74c6519b-99
0.257
GAB-REV-70cc3ca5-13
0.257
BEN-DND-6de5dfa0-5
0.257
KEI-TRE-d5e2018a-86
0.256
SAM-UNK-2684b532-8
0.256
MAK-UNK-009ebe36-8
0.256
MAR-TRE-f6f5f473-79
0.256
NIM-UNI-7ba87d62-2
0.256
MAR-TRE-4b834d9a-67
0.256
MAR-TRE-4b834d9a-92
0.256
DAR-DIA-43a5904b-17
0.255
ALE-HEI-f28a35b5-16
0.255
DRR-IMP-38dce17f-4
0.255
BEN-DND-93268d01-10
0.255
MAR-TRE-9c797165-52
0.254
STE-KUL-2e0d2e88-3
0.254
MAR-TRE-2fd8122f-24
0.254
SIM-DEM-2d7ee9fd-1
0.254
MAK-UNK-849bee6c-26
0.254
ALE-HEI-f28a35b5-17
0.252
SCO-VAN-260d9628-1
0.252
SAD-SAT-b55127ae-4
0.252
BEN-DND-6de5dfa0-16
0.252
NIR-THE-b7e8e081-2
0.252
MAK-UNK-129dcd6f-9
0.252
SAD-SAT-7d5528d9-13
0.252
SAM-UNK-2684b532-9
0.252
RUT-UNI-630c5802-11
0.252
BEN-DND-6de5dfa0-8
0.250
TRY-UNI-714a760b-6
0.250
BEN-DND-22e6b372-2
0.250
RUT-UNI-630c5802-4
0.250
MAR-TRE-2fd8122f-64
0.250
DAR-DIA-bd041b9b-29
0.250
ERI-UCB-fbdd3ea1-10
0.248
DAR-DIA-bd041b9b-19
0.248
MAR-UCB-195bc32d-32
0.248
MAR-TRE-4b834d9a-71
0.248
SIM-DEM-2843056b-4
0.248
MAR-TRE-c317dd82-23
0.248
MAK-UNK-849bee6c-6
0.248
KEI-TRE-d5e2018a-56
0.248
SAD-SAT-7d5528d9-8
0.248
JAN-GHE-83b26c96-12
0.248
MAK-UNK-6ca90168-26
0.248
RUT-UNI-630c5802-7
0.246
MAK-UNK-849bee6c-24
0.246
MAR-TRE-4b834d9a-43
0.246
MED-COV-4280ac29-28
0.246
KEI-TRE-d5e2018a-58
0.246
MAR-TRE-2fd8122f-22
0.246
RED-SAT-26a928c9-1
0.246
DAR-DIA-0cde14eb-14
0.246
ANU-UNK-2781581f-1
0.246
MAR-TRE-3e4e6814-34
0.246
KEI-TRE-d5e2018a-32
0.246
DAR-DIA-0cde14eb-1
0.246
BEN-DND-6de5dfa0-3
0.246
NAU-LAT-3f5f3993-5
0.246
BEN-DND-09b88bf4-3
0.246
BEN-DND-93268d01-11
0.245
MAR-TRE-3e4e6814-22
0.244
WIL-UNI-5578df48-18
0.244
MAR-TRE-66ac689e-51
0.243
NIR-THE-b7e8e081-1
0.243
DRA-CSI-0a78d9ba-4
0.243
COM-UCB-1ef4e90e-6
0.242
JAG-UCB-1d922829-3
0.242
MAR-TRE-f6f5f473-58
0.242
MAK-UNK-af83ef51-14
0.242