Molecular Properties | |
SMILES: | NC(=O)C1CCN(Cc2nc(O)c3ccccc3n2)CC1 |
MW: | 286.14 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.34 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z274584790 |
Enamine Extended REAL: | s_2230____678742____7465684 |
Mcule: | MCULE-8350323692 |
Mcule Ultimate: | ZKZIFAVTFJBJGS-UHFFFAOYSA-N |
MolPort: | MolPort-001-529-739 |
MAR-TRE-f5c2d31c-23
0.384
MAR-TRE-3e4e6814-31
0.356
MAR-TRE-04c86cea-71
0.356
MAR-TRE-f5c2d31c-91
0.308
GIA-UNK-5ec6c2b8-3
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BEN-DND-031a96cc-7
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CLI-UNI-032f7715-3
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AAR-POS-0daf6b7e-32
0.293
MAR-TRE-f5c2d31c-3
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MAR-TRE-f5c2d31c-30
0.291
MAR-TRE-fd17a9b8-65
0.289
LON-WEI-120e5cf5-14
0.289
RED-RED-10c9212c-27
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MAT-POS-ea426761-92
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MAR-TRE-fd17a9b8-6
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UNK-UNK-2ede4078-75
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MAR-TRE-fd17a9b8-98
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BEN-DND-031a96cc-4
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MAR-TRE-dab8f6ea-45
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MAK-UNK-750cfbcc-1
0.250
MAR-TRE-fd17a9b8-3
0.250
KRI-MAR-d2e3ef86-17
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JAG-UCB-ef2c0e8e-8
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MAK-UNK-212f693e-15
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GIA-UNK-5ec6c2b8-5
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SAD-SAT-f0a2747f-6
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WAR-XCH-b0339bbe-19
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JAR-KUA-8c13982c-7
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WAR-XCH-72a8c209-3
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SWA-SYN-40d44a84-1
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RED-RED-10c9212c-41
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MAR-TRE-f5c2d31c-90
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ERI-BAS-37e2bb46-1
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JAG-SYN-9c2cd0bd-9
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JAG-SYN-9c2cd0bd-14
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MAK-UNK-5d2caa6f-13
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JOH-IMS-7e73aedd-4
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GIA-UNK-595fac82-5
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AAR-POS-d2a4d1df-30
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TAT-ENA-80bfd3e5-13
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WAR-XCH-bdd24732-16
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MAR-TRE-e86a56b5-29
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MAR-TRE-fd17a9b8-9
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LON-WEI-ff7b210a-7
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BEN-DND-031a96cc-5
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BEN-DND-031a96cc-6
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MAR-TRE-6a44bbf2-53
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MAK-UNK-7c9d1431-25
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DAV-IMP-59dd6621-2
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MAT-POS-162a9720-8
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JOO-IND-b13e14cc-2
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MAT-POS-ea426761-96
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KRI-MAR-d2e3ef86-16
0.225
PAU-UNI-b2b6b158-1
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DAR-DIA-8e329c92-1
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MAK-UNK-5d2caa6f-9
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MAR-TRE-c8530538-4
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MAR-TRE-4f781e27-83
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JAR-KUA-672ec752-9
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MAR-TRE-c8530538-68
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NAU-LAT-2fed8305-3
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WIL-UNI-d4749f31-37
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KUS-THE-322b9b63-12
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MAK-UNK-b1d4dcd7-1
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IND-SYN-6c8299e8-1
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MAR-TRE-fd17a9b8-16
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DRA-CSI-0a78d9ba-13
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MAR-TRE-c8530538-71
0.219
AUS-ARG-7cfdce8f-15
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MED-COV-4280ac29-19
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AAR-POS-d2a4d1df-40
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MED-COV-4280ac29-31
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JOO-IND-6372a4f3-4
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MAK-UNK-212f693e-23
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MAR-TRE-fd17a9b8-11
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MAR-TRE-f5c2d31c-89
0.218
KRI-MAR-d2e3ef86-2
0.218
ANT-OPE-bf404da3-1
0.217
JOO-IND-b13e14cc-1
0.217
MAR-TRE-799db12b-89
0.217
AHN-SAT-02ef6d10-1
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TRY-UNI-1fd04853-4
0.217
MAK-UNK-5d2caa6f-11
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HAO-BIO-c9aafde3-4
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DUN-NEW-f8ce3686-2
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TAM-UNI-d1c3dd9f-9
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MAR-TRE-fd17a9b8-22
0.216
BAR-COM-4e090d3a-22
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ANT-DIA-62e4526e-1
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DRA-CSI-0a78d9ba-5
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MAT-POS-b5746674-105
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DRA-CSI-0a78d9ba-1
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MAK-UNK-31051d4e-1
0.214
MAR-TRE-67513f76-53
0.214
MAR-TRE-fd17a9b8-44
0.214
MAR-TRE-c8530538-97
0.214
AHN-SAT-02ef6d10-4
0.213
EDJ-MED-40e596c8-3
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MAR-TRE-fd17a9b8-50
0.213
DRV-DNY-ae159ed1-19
0.213