Molecular Properties | |
SMILES: | O=C(NCCNc1cc(N2CCOCC2)ncn1)Nc1cccc(Cl)c1 |
MW: | 376.14 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 91.41 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9678987927 |
MolPort: | MolPort-020-184-519 |
Aliphatic long chain
MAR-TRE-f5c2d31c-18
0.756
MAR-TRE-f5c2d31c-20
0.756
MAR-TRE-f5c2d31c-81
0.750
MAR-TRE-f5c2d31c-83
0.729
MAR-TRE-f5c2d31c-63
0.729
MAR-TRE-f5c2d31c-13
0.718
MAR-TRE-f5c2d31c-42
0.714
MAR-TRE-f5c2d31c-99
0.690
MAR-TRE-f5c2d31c-96
0.675
MAR-TRE-f5c2d31c-38
0.667
MAR-TRE-fd17a9b8-49
0.667
MAR-TRE-f5c2d31c-70
0.667
MAR-TRE-f5c2d31c-11
0.663
MAR-TRE-f5c2d31c-74
0.644
MAR-TRE-f5c2d31c-52
0.607
MAR-TRE-f5c2d31c-35
0.604
MAR-TRE-f5c2d31c-85
0.591
MAR-TRE-fd17a9b8-85
0.527
MAR-TRE-f5c2d31c-9
0.511
MAR-TRE-f5c2d31c-33
0.500
MAR-TRE-f5c2d31c-39
0.490
MAR-TRE-f5c2d31c-19
0.474
MAR-TRE-f5c2d31c-28
0.444
MAR-TRE-f5c2d31c-37
0.427
MAR-TRE-f5c2d31c-7
0.418
MAR-TRE-f5c2d31c-57
0.410
MAR-TRE-f5c2d31c-29
0.406
AAR-UNI-c25c2f1e-46
0.395
MAR-TRE-f5c2d31c-54
0.390
MAR-TRE-f5c2d31c-27
0.388
MAR-TRE-f5c2d31c-66
0.388
MAR-TRE-f5c2d31c-22
0.388
LUI-IND-a1be81af-2
0.367
MAR-TRE-dab8f6ea-48
0.356
BAR-COM-4e090d3a-58
0.340
AAR-UNI-c25c2f1e-78
0.330
MAR-TRE-6a44bbf2-67
0.330
JAG-UCB-cedd89ab-6
0.327
MAR-TRE-fd17a9b8-72
0.324
SEA-TRI-6388eba6-1
0.320
DAR-DIA-03336633-3
0.319
WAR-XCH-eb7b662f-7
0.318
JOR-UNI-2fc98d0b-7
0.318
JAN-GHE-83b26c96-19
0.318
DAR-DIA-23aa0b97-14
0.318
JAG-UCB-cedd89ab-8
0.312
TRY-UNI-714a760b-12
0.312
DAR-DIA-23aa0b97-13
0.308
MAK-UNK-c8c8f7e2-18
0.305
JOH-UNI-522b0723-10
0.304
JAG-UCB-cedd89ab-7
0.303
TRY-UNI-714a760b-9
0.302
JAN-LUN-3e0f9c09-1
0.300
JAN-LUN-8953ce76-6
0.300
ALP-POS-a3de0cb1-12
0.300
SEA-TRI-5a552082-1
0.290
MAR-TRE-f5c2d31c-12
0.290
MAR-TRE-6a44bbf2-100
0.289
AHN-SAT-de2502ba-4
0.289
MAR-TRE-9c797165-83
0.289
MAR-TRE-f5c2d31c-34
0.288
SEA-TRI-2dd971ce-1
0.287
MAR-TRE-f5c2d31c-8
0.287
MAR-TRE-f5c2d31c-43
0.287
BAR-COM-4e090d3a-54
0.287
MAR-TRE-f5c2d31c-24
0.284
MIC-UNK-66895286-3
0.284
MAR-TRE-67513f76-86
0.281
JAG-UCB-252a2f58-1
0.281
BEN-DND-61647d40-13
0.280
JIN-POS-6dc588a4-1
0.280
BEN-DND-02317c5c-11
0.280
BEN-DND-61647d40-11
0.280
NAU-LAT-4ce8bf23-1
0.279
JOR-UNI-2fc98d0b-6
0.279
AAR-POS-0daf6b7e-29
0.279
JOH-IMS-1436231f-6
0.279
BEN-DND-61647d40-19
0.278
BAR-COM-0f94fc3d-33
0.278
CHO-MSK-00c5269a-4
0.277
BEN-DND-02317c5c-12
0.277
MIC-UNK-66895286-5
0.277
MAT-POS-bfb445d4-1
0.277
MAT-POS-3b92565d-14
0.277
BEN-DND-61647d40-12
0.277
MIC-UNK-66895286-2
0.277
MIC-UNK-66895286-4
0.276
SAD-SAT-135344c3-8
0.275
DAR-DIA-23aa0b97-12
0.275
PET-UNK-8922bd3c-1
0.275
AAR-UNI-c25c2f1e-51
0.274
JOR-UNI-2fc98d0b-1
0.273
WIL-LEE-23e8b574-8
0.273
ABB-MCD-f549d731-1
0.273
MAR-TRE-f5c2d31c-25
0.271
MAR-TRE-9c797165-69
0.271
MAR-TRE-a9136c7b-11
0.270
MAR-TRE-4b834d9a-64
0.270
MAR-TRE-d0525fbf-58
0.270
MED-COV-4280ac29-34
0.270