Molecular Properties | |
SMILES: | c1ccc(SCCN2CCOCC2)cc1 |
MW: | 223.341 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 12.47 |
cLogP: | 2.1109 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z2856434865 |
Enamine REAL: | Z57600778 |
Enamine Extended REAL: | s_2230____665308____5062376 |
Mcule: | MCULE-9442616075 |
Mcule Ultimate: | QDTNFZGZGSMNCU-UHFFFAOYSA-N |
MolPort: | MolPort-003-185-222 |
Order Status | |
Shipped: | 2021-04-16 |
AAR-POS-d2a4d1df-1
MAR-TRE-a3327163-41
0.379
MAR-TRE-0fda4e82-37
0.344
MAR-TRE-a3327163-23
0.328
MAR-TRE-d3c2bf0e-47
0.316
MAR-TRE-fd17a9b8-68
0.306
MAR-TRE-a3327163-4
0.306
JOH-IMS-1436231f-6
0.305
AAR-POS-0daf6b7e-29
0.305
MAR-TRE-d3c2bf0e-64
0.295
MAR-LAB-ff9967db-17
0.293
KUS-THE-322b9b63-23
0.289
MAR-LAB-ca4662a6-5
0.275
MAR-TRE-a3327163-98
0.268
BAR-COM-4e090d3a-45
0.268
GIA-UNK-3f36037a-6
0.265
MAR-TRE-fd17a9b8-36
0.264
SEA-TRI-fac72a44-1
0.260
MAR-TRE-14ce9fd6-17
0.258
SEA-TRI-078a8df3-1
0.258
GIA-UNK-3f36037a-2
0.258
PAT-GYR-de8eec61-4
0.257
SEA-TRI-38830027-1
0.255
DAR-DIA-6a49afbe-5
0.253
MAK-UNK-5d2caa6f-2
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MAT-POS-b5746674-126
0.250
SEA-TRI-67e8f1c7-1
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MED-COV-4280ac29-22
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JAR-KUA-672ec752-7
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JOH-ILL-da934517-4
0.247
MAK-UNK-9955b1f3-3
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JOH-ILL-da934517-3
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AAR-POS-0daf6b7e-30
0.242
LON-WEI-4d77710c-16
0.241
MAT-POS-2492181e-11
0.241
MAT-POS-b5746674-109
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LON-WEI-5e7d1b3e-16
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MAR-TRE-fd17a9b8-20
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MAR-TRE-9c797165-3
0.241
JOR-UNI-2fc98d0b-6
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RED-RED-10c9212c-53
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SAD-SAT-1f400d17-1
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MAK-UNK-0b1cbb06-1
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JUA-UNI-bc099708-3
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DAR-DIA-6a49afbe-6
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MAR-TRE-6c5ef77a-21
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PAT-GYR-de8eec61-1
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MAK-UNK-748f8b7a-11
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MAK-UNK-987948f6-10
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JOH-IMS-7e73aedd-4
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ROD-UFR-93b30032-1
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MAR-TRE-fd17a9b8-7
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JOH-ILL-da934517-2
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SAD-SAT-7d5528d9-19
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PAT-GYR-de8eec61-7
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MAR-TRE-f5c2d31c-68
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MAR-TRE-0fda4e82-52
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JOR-UNI-61e7b1d5-16
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MAR-TRE-67513f76-19
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MAR-TRE-a9136c7b-11
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MAR-TRE-7f7bb9f0-71
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DRA-CSI-47e38074-5
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MAR-TRE-3e4e6814-25
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MAK-UNK-10799360-23
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SIM-DEM-2843056b-1
0.225
DRA-CSI-47e38074-1
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MAK-UNK-9955b1f3-16
0.224
ARI-TAT-5792557e-4
0.223
BAR-COM-4e090d3a-54
0.223
BEN-DND-93268d01-10
0.222
ALP-POS-02c6a514-55
0.222
MAR-TRE-9c797165-29
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AAR-UNI-c25c2f1e-58
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MAR-TRE-c317dd82-69
0.220
WIL-LEE-1f71e281-4
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GIA-UNK-eaadd1d4-3
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GIA-UNK-d2defdc3-6
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MAR-TRE-c317dd82-23
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PAT-GYR-de8eec61-3
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ALP-POS-88a7a97e-47
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LON-WEI-adc59df6-25
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MAR-TRE-67513f76-15
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MAK-UNK-10dfa458-8
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JOR-UNI-2fc98d0b-1
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MAK-UNK-a7992eb3-22
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MAR-TRE-e82e6c98-52
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MAK-UNK-15efde89-1
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MAR-TRE-9c797165-64
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MAR-TRE-66ac689e-61
0.212
SAD-SAT-7d5528d9-31
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MAR-TRE-0fda4e82-27
0.211
DAR-DIA-03336633-10
0.211
ALP-POS-bad7201a-1
0.211
AHN-SAT-de2502ba-12
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MAR-TRE-6a44bbf2-20
0.211
SAD-SAT-65574d3f-8
0.211
JOR-UNI-61e7b1d5-17
0.210
MAR-TRE-d0525fbf-36
0.210
SAD-SAT-7d5528d9-22
0.210
SAD-SAT-7d5528d9-16
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DRA-CSI-47e38074-2
0.210