Molecular Properties | |
SMILES: | Cc1nc(NCCNC(=O)Nc2cccc(Cl)c2)cc(N2CCOCC2)n1 |
MW: | 390.16 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8163317083 |
MolPort: | MolPort-009-740-006 |
Aliphatic long chain
MAR-TRE-f5c2d31c-9
0.785
MAR-TRE-f5c2d31c-39
0.747
MAR-TRE-f5c2d31c-33
0.738
MAR-TRE-f5c2d31c-19
0.738
MAR-TRE-f5c2d31c-28
0.690
MAR-TRE-f5c2d31c-37
0.679
MAR-TRE-f5c2d31c-36
0.663
MAR-TRE-f5c2d31c-7
0.663
MAR-TRE-f5c2d31c-57
0.647
MAR-TRE-f5c2d31c-29
0.621
MAR-TRE-f5c2d31c-22
0.614
MAR-TRE-f5c2d31c-66
0.614
MAR-TRE-f5c2d31c-54
0.611
MAR-TRE-f5c2d31c-27
0.596
MAR-TRE-fd17a9b8-72
0.533
MAR-TRE-f5c2d31c-18
0.521
MAR-TRE-f5c2d31c-42
0.505
MAR-TRE-f5c2d31c-63
0.490
MAR-TRE-f5c2d31c-83
0.490
MAR-TRE-f5c2d31c-20
0.490
MAR-TRE-f5c2d31c-43
0.484
MAR-TRE-f5c2d31c-13
0.480
MAR-TRE-f5c2d31c-81
0.479
MAR-TRE-f5c2d31c-34
0.478
MAR-TRE-f5c2d31c-12
0.473
MAR-TRE-f5c2d31c-99
0.469
MAR-TRE-f5c2d31c-8
0.468
MAR-TRE-f5c2d31c-25
0.467
MAR-TRE-fd17a9b8-49
0.455
MAR-TRE-f5c2d31c-70
0.455
MAR-TRE-f5c2d31c-96
0.453
MAR-TRE-f5c2d31c-74
0.420
MAR-TRE-f5c2d31c-38
0.418
AAR-UNI-c25c2f1e-46
0.417
MAR-TRE-f5c2d31c-35
0.408
MAR-TRE-f5c2d31c-52
0.406
MAR-TRE-f5c2d31c-85
0.400
LUI-IND-a1be81af-2
0.371
BAR-COM-4e090d3a-58
0.357
JAG-UCB-cedd89ab-8
0.344
TRY-UNI-714a760b-12
0.344
AAR-UNI-c25c2f1e-78
0.333
TRY-UNI-714a760b-9
0.333
DAR-DIA-23aa0b97-14
0.322
JAN-GHE-83b26c96-19
0.322
WAR-XCH-eb7b662f-7
0.322
JOR-UNI-2fc98d0b-7
0.322
MIC-UNK-66895286-3
0.315
MAR-TRE-fd17a9b8-85
0.314
DAR-DIA-23aa0b97-13
0.311
JAG-UCB-cedd89ab-6
0.303
JAN-LUN-3e0f9c09-1
0.303
JAN-LUN-8953ce76-6
0.303
SAD-SAT-135344c3-8
0.302
MAR-TRE-f5c2d31c-79
0.301
DAR-DIA-03336633-3
0.298
EDJ-MED-49816e9b-1
0.298
AAR-UNI-c25c2f1e-30
0.298
SEA-TRI-6388eba6-1
0.296
JOH-UNI-522b0723-10
0.294
BAR-COM-0f94fc3d-33
0.292
BEN-VAN-ed886787-18
0.292
ALP-POS-a3de0cb1-12
0.292
MIC-UNK-66895286-4
0.292
MAR-TRE-6a44bbf2-67
0.290
RIT-AID-d1f3f5d2-1
0.289
BAR-COM-4e090d3a-54
0.289
WIL-LEE-23e8b574-8
0.289
WIL-LEE-1f71e281-4
0.287
SAD-SAT-7d5528d9-4
0.287
ABB-MCD-f549d731-1
0.286
JAG-UCB-252a2f58-1
0.284
BEN-DND-61647d40-11
0.283
NAU-LAT-4ce8bf23-1
0.282
JOR-UNI-2fc98d0b-6
0.282
BEN-DND-61647d40-19
0.281
MAK-UNK-c8c8f7e2-18
0.281
JAG-UCB-cedd89ab-7
0.280
MAT-POS-bfb445d4-1
0.280
BEN-DND-02317c5c-12
0.280
BEN-DND-61647d40-12
0.280
MAT-POS-3b92565d-14
0.280
MIC-UNK-66895286-5
0.280
MIC-UNK-66895286-2
0.280
MAR-TRE-6a44bbf2-100
0.278
AHN-SAT-de2502ba-4
0.278
JAG-UCB-77729364-1
0.278
PET-UNK-8922bd3c-1
0.277
AAR-UNI-c25c2f1e-51
0.277
BAR-COM-4e090d3a-60
0.276
JOR-UNI-2fc98d0b-1
0.275
SAD-SAT-7d5528d9-5
0.274
TRY-UNI-9f475305-11
0.273
BAR-COM-4e090d3a-66
0.273
SAD-SAT-7d5528d9-50
0.271
SAD-SAT-7d5528d9-12
0.271
MAK-UNK-c8c8f7e2-17
0.271
BEN-DND-02317c5c-11
0.270
BEN-DND-61647d40-13
0.270
JIN-POS-6dc588a4-1
0.270