Molecular Properties | |
SMILES: | O=C(CCl)NCc1ccc(N2CCOCC2)nc1 |
MW: | 269.09 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 54.46 |
cLogP: | 0.77 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1011119030 |
MolPort: | MolPort-011-269-479 |
MAR-TRE-9c797165-69
0.435
MAR-TRE-67513f76-86
0.408
MAR-TRE-67513f76-60
0.403
MAR-TRE-9c797165-83
0.397
MAR-TRE-4b834d9a-64
0.387
MAR-TRE-9c797165-58
0.382
MAK-UNK-72659d64-2
0.381
MAR-TRE-fd17a9b8-85
0.365
SAD-SAT-65574d3f-8
0.360
AHN-SAT-de2502ba-12
0.360
MAR-TRE-6a44bbf2-20
0.360
MAR-TRE-6a44bbf2-34
0.355
MAR-TRE-9c797165-32
0.354
MAK-UNK-f983951f-23
0.349
MAR-TRE-f5c2d31c-74
0.348
MAR-TRE-3159af1a-88
0.348
MAR-TRE-6a44bbf2-62
0.346
MAR-TRE-f5c2d31c-81
0.345
MAR-TRE-f5c2d31c-42
0.344
MAK-UNK-f983951f-26
0.344
SAD-SAT-65574d3f-2
0.344
MAR-TRE-6a44bbf2-73
0.344
AAR-POS-d2a4d1df-31
0.343
MAR-TRE-3159af1a-17
0.338
MAR-TRE-3159af1a-82
0.337
MAR-TRE-f5c2d31c-96
0.333
MAR-TRE-3159af1a-71
0.333
MAR-TRE-fd17a9b8-72
0.333
JOH-UNI-abdb2f0c-3
0.333
MAR-TRE-f5c2d31c-36
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MAR-TRE-f5c2d31c-38
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MAR-TRE-3159af1a-28
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MAR-TRE-6a44bbf2-70
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MAR-TRE-f5c2d31c-35
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MAR-TRE-f5c2d31c-13
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MAR-TRE-f5c2d31c-99
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MAK-UNK-af83ef51-31
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MAR-TRE-f5c2d31c-63
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MAR-TRE-f5c2d31c-52
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MAR-TRE-f5c2d31c-18
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MAR-TRE-f5c2d31c-20
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GIA-UNK-3f36037a-6
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MAR-TRE-f5c2d31c-19
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MAK-UNK-f983951f-11
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MAR-TRE-f5c2d31c-70
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MAR-TRE-fd17a9b8-49
0.312
SAD-SAT-1b030f84-2
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PAT-GYR-359dbb24-2
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MAR-TRE-f5c2d31c-83
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MAR-TRE-3159af1a-52
0.305
MAR-TRE-8190bb11-99
0.303
MAR-TRE-f5c2d31c-85
0.302
MAR-TRE-3159af1a-95
0.299
AAR-POS-d2a4d1df-21
0.297
PAT-GYR-359dbb24-1
0.297
MAR-TRE-f5c2d31c-57
0.297
MAK-UNK-72659d64-4
0.296
MAR-TRE-f5c2d31c-37
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MAR-TRE-f5c2d31c-39
0.295
MAR-TRE-fd17a9b8-62
0.294
MAR-TRE-f5c2d31c-9
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MAR-TRE-f5c2d31c-29
0.293
MAK-UNK-f983951f-21
0.293
BAR-COM-0f94fc3d-33
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MAR-TRE-f5c2d31c-11
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MAR-TRE-f5c2d31c-27
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MAR-TRE-f5c2d31c-22
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MAR-TRE-f5c2d31c-28
0.290
MAR-TRE-f5c2d31c-66
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MAR-TRE-f5c2d31c-7
0.289
PAT-GYR-359dbb24-3
0.287
MAR-TRE-9c797165-3
0.286
PAT-GYR-359dbb24-5
0.284
NIM-UNI-310206f0-7
0.282
PET-SGC-cb83a00c-1
0.282
PAT-GYR-359dbb24-4
0.282
SAD-SAT-5b1897b2-1
0.282
SAD-SAT-5b1897b2-3
0.282
MAR-TRE-f5c2d31c-54
0.281
PAT-GYR-de8eec61-1
0.279
TAM-UNI-d1c3dd9f-21
0.279
AHN-SAT-de2502ba-16
0.278
MAR-TRE-f5c2d31c-33
0.278
AAR-UNI-c25c2f1e-59
0.278
TAM-UNI-d1c3dd9f-12
0.276
BAR-COM-4e090d3a-58
0.276
MAR-TRE-fd17a9b8-7
0.276
AHN-SAT-de2502ba-9
0.275
MAR-TRE-6a44bbf2-100
0.275
AHN-SAT-de2502ba-4
0.275
BEN-DND-93268d01-10
0.273
MAR-TRE-6a44bbf2-83
0.272
AHN-SAT-de2502ba-13
0.272
PAT-GYR-de8eec61-4
0.272
PAT-GYR-de8eec61-2
0.270
MAR-TRE-fd17a9b8-68
0.268
MAK-UNK-72659d64-11
0.267
MAR-TRE-6a44bbf2-30
0.266
AHN-SAT-de2502ba-2
0.266
MAR-TRE-6a44bbf2-63
0.265