Molecular Properties | |
SMILES: | N#Cc1ccc(CSc2nc3ccccc3s2)cc1 |
MW: | 282.03 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 36.68 |
cLogP: | 4.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7370320065 |
MolPort: | MolPort-002-229-411 |
MAR-TRE-1c920f6f-99
0.561
MAR-TRE-14ce9fd6-55
0.475
MAR-TRE-14ce9fd6-44
0.448
MAR-TRE-14ce9fd6-47
0.425
MAR-TRE-14ce9fd6-29
0.403
MAR-TRE-14ce9fd6-13
0.400
AAR-UNI-c25c2f1e-76
0.383
AAR-UNI-c25c2f1e-86
0.381
MAR-TRE-8190bb11-35
0.366
MAR-TRE-14ce9fd6-41
0.364
MAR-TRE-14ce9fd6-52
0.364
AAR-UNI-c25c2f1e-69
0.357
MAR-TRE-14ce9fd6-73
0.354
MAR-TRE-14ce9fd6-34
0.351
MAR-TRE-14ce9fd6-38
0.351
MAR-TRE-1c920f6f-43
0.342
MAR-TRE-14ce9fd6-8
0.342
JOO-IND-b2fae8f6-2
0.333
MAR-TRE-14ce9fd6-9
0.329
MAR-TRE-1c920f6f-39
0.329
MAR-TRE-14ce9fd6-21
0.321
MAR-TRE-14ce9fd6-33
0.316
MAR-TRE-14ce9fd6-35
0.316
JOO-IND-b2fae8f6-1
0.315
MAR-TRE-14ce9fd6-62
0.312
MAR-TRE-1c920f6f-27
0.312
MAR-TRE-6c5ef77a-39
0.292
JOO-IND-68bcc4bc-1
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AHN-SAT-324b361c-1
0.274
MAR-TRE-14ce9fd6-66
0.274
MAR-TRE-14ce9fd6-31
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MAR-TRE-14ce9fd6-24
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RAL-THA-2d450e86-5
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MAR-TRE-6a44bbf2-64
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MAR-TRE-a3327163-16
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MAR-TRE-1c920f6f-97
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MAR-TRE-1c920f6f-65
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MAR-TRE-14ce9fd6-25
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MAR-TRE-14ce9fd6-48
0.247
MAR-TRE-14ce9fd6-57
0.247
MAR-TRE-14ce9fd6-58
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MAR-TRE-6a44bbf2-53
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MAK-UNK-7c9d1431-25
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WIL-UNI-2a57d06c-21
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WAR-XCH-bdd24732-34
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MAR-TRE-a3327163-90
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WIL-UNI-2a57d06c-11
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IND-SYN-6c8299e8-3
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MAR-TRE-0fda4e82-81
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WIL-UNI-d4749f31-34
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MAR-TRE-fd17a9b8-54
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MAR-TRE-14ce9fd6-65
0.234
AAR-UNI-c25c2f1e-20
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AAR-POS-d2a4d1df-30
0.233
AHN-SAT-02ef6d10-1
0.233
TAT-ENA-80bfd3e5-13
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MAK-UNK-f983951f-23
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MAR-TRE-1c920f6f-31
0.232
MAR-TRE-0fda4e82-62
0.230
AHN-SAT-02ef6d10-4
0.229
MAR-TRE-2fd8122f-69
0.229
MAK-UNK-3f402c2b-8
0.227
JOO-IND-b13e14cc-2
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MAR-TRE-14ce9fd6-77
0.225
JOO-IND-b13e14cc-3
0.225
MAT-POS-ea426761-5
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MAR-TRE-a3327163-32
0.224
MAR-TRE-14ce9fd6-50
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WAR-XCH-b72a1bbc-8
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MAR-TRE-14ce9fd6-95
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NEL-UNI-1464a899-3
0.221
MAR-TRE-1c920f6f-75
0.220
JOO-IND-b13e14cc-1
0.218
SAD-SAT-f0a2747f-2
0.218
MAT-POS-ea426761-92
0.217
LON-WEI-5e7d1b3e-32
0.215
LON-WEI-4d77710c-32
0.215
NEL-UNI-1464a899-8
0.215
MAR-TRE-14ce9fd6-83
0.215
WIL-UNI-2a57d06c-43
0.215
MAR-TRE-1c920f6f-14
0.214
WIL-UNI-d4749f31-35
0.213
WIL-UNI-2a57d06c-39
0.213
MAK-UNK-be3f299e-6
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GAB-REV-df64cf17-21
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MAR-TRE-14ce9fd6-16
0.211
MAK-UNK-6ca90168-14
0.211
ALP-UNI-ed5cdfd2-8
0.211
DRR-IMP-38dce17f-7
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MAT-POS-ea426761-82
0.210
LON-WEI-ff7b210a-8
0.210
MAR-TRE-1c920f6f-2
0.210
MAR-TRE-1c920f6f-63
0.208
MAR-TRE-0fda4e82-23
0.207
MAR-TRE-14ce9fd6-28
0.207
MAR-TRE-0fda4e82-77
0.205
EDJ-MED-ee07cf00-5
0.204
MAR-TRE-14ce9fd6-30
0.203
MAR-TRE-14ce9fd6-12
0.202
TRY-UNI-1fd04853-8
0.202