Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)Nc2cn[nH]c2)cc1C |
MW: | 230.271 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 69.81 |
cLogP: | 2.67054 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z813122724 |
Enamine Extended REAL: | s_2430____737090____12398644 |
Mcule: | MCULE-7157405494 |
AAR-POS-d2a4d1df-2
CAS-DEP-167c18e3-4
0.470
MIC-UNK-66895286-1
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CAS-DEP-e179b1f5-4
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MAR-TRE-f5c2d31c-99
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MAR-TRE-66ac689e-25
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MAR-TRE-14ce9fd6-27
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WAR-XCH-eb7b662f-6
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MAR-TRE-0fda4e82-94
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JAG-UCB-cedd89ab-8
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TRY-UNI-714a760b-12
0.288
MAK-UNK-0cb6a3ad-11
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ALE-HEI-f28a35b5-1
0.275
TRY-UNI-714a760b-4
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SIM-DEM-f31d0e65-1
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MAR-TRE-8190bb11-14
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TRY-UNI-714a760b-24
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MAK-UNK-129dcd6f-17
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MAK-UNK-129dcd6f-9
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WIL-UNI-5578df48-22
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DAR-DIA-0cde14eb-65
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WIL-UNI-5578df48-21
0.264
MAR-LAB-ff9967db-25
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DAR-DIA-0cde14eb-5
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DAR-DIA-0cde14eb-67
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EDJ-MED-e58735b6-4
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CAS-DEP-751a2458-3
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MIC-UNK-66895286-2
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CHR-SOS-363cfb78-2
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DAR-DIA-0cde14eb-7
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MAK-UNK-129dcd6f-12
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DAR-DIA-0cde14eb-8
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DAR-DIA-0cde14eb-6
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JOR-UNI-2fc98d0b-7
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WAR-XCH-eb7b662f-7
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JAN-GHE-83b26c96-19
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DAR-DIA-23aa0b97-14
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GAB-REV-70cc3ca5-12
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DAR-DIA-0cde14eb-9
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SAD-SAT-135344c3-7
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DAR-DIA-0cde14eb-22
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LON-WEI-4d77710c-5
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AAR-POS-d2a4d1df-3
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MAK-UNK-129dcd6f-16
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LON-WEI-5e7d1b3e-5
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SAD-SAT-f25ee457-8
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MAK-UNK-129dcd6f-4
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MAR-TRE-9d18ae8c-43
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GAB-REV-70cc3ca5-3
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JAG-UCB-cedd89ab-7
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DAR-DIA-0cde14eb-66
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AAR-UNI-c25c2f1e-40
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ALE-HEI-f28a35b5-2
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DAR-DIA-23aa0b97-13
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SID-ELM-2583a2cd-6
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CAS-DEP-751a2458-4
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MAK-UNK-6ca90168-26
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DAR-DIA-0cde14eb-20
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MAK-UNK-009ebe36-2
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MAK-UNK-129dcd6f-15
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TRY-UNI-714a760b-9
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JOR-UNI-61e7b1d5-2
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WAR-XCH-eb7b662f-1
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DAR-DIA-23aa0b97-5
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WAR-XCH-eb7b662f-5
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ANN-UNI-26382800-4
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ANN-UNI-26382800-6
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ALE-HEI-f28a35b5-13
0.243
MAR-TRE-6a44bbf2-93
0.243
WAR-XCH-6eb0722e-5
0.241
DAR-DIA-0cde14eb-69
0.241
WIL-UNI-5578df48-19
0.241
LON-WEI-af038623-7
0.240
EDJ-MED-c9f55a56-1
0.240
SID-ELM-2583a2cd-7
0.239
MAK-UNK-129dcd6f-2
0.238
MAK-UNK-129dcd6f-7
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ALE-HEI-f28a35b5-11
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MAT-POS-590ac91e-17
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DAR-DIA-0cde14eb-23
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MAK-UNK-d1e89583-7
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HAN-NEW-5f56c3bc-1
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MAT-POS-590ac91e-1
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MAT-POS-590ac91e-2
0.235
ERI-UCB-5b47150d-1
0.235
WIL-UNI-5578df48-28
0.235
SAD-SAT-689b7d5a-8
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EDJ-MED-49816e9b-1
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DAR-DIA-23aa0b97-8
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JAG-UCB-1d922829-1
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ALE-HEI-f28a35b5-4
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CAS-DEP-751a2458-6
0.233
WIL-UNI-5578df48-23
0.233
SID-ELM-2583a2cd-5
0.232