Molecular Properties | |
SMILES: | N#Cc1ccc(CSc2ncccn2)cc1 |
MW: | 227.05 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.57 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1048299304 |
MolPort: | MolPort-001-496-644 |
MAR-TRE-0fda4e82-62
0.481
MAR-TRE-1c920f6f-27
0.452
MAR-TRE-14ce9fd6-55
0.436
MAR-TRE-14ce9fd6-52
0.436
MAR-TRE-14ce9fd6-34
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MAR-TRE-14ce9fd6-41
0.424
MAR-TRE-1c920f6f-43
0.422
MAR-TRE-14ce9fd6-8
0.418
MAR-TRE-14ce9fd6-44
0.410
MAR-TRE-14ce9fd6-35
0.409
MAR-TRE-1c920f6f-39
0.406
MAR-TRE-14ce9fd6-84
0.403
MAR-TRE-14ce9fd6-9
0.382
MAR-TRE-14ce9fd6-62
0.377
MAR-TRE-14ce9fd6-73
0.371
MAR-TRE-14ce9fd6-47
0.368
MAR-TRE-14ce9fd6-13
0.362
MAR-TRE-14ce9fd6-21
0.353
MAR-TRE-14ce9fd6-38
0.348
MAR-TRE-14ce9fd6-33
0.348
MAR-TRE-14ce9fd6-3
0.313
MAR-TRE-1c920f6f-31
0.304
MAR-TRE-0fda4e82-77
0.290
MAR-TRE-1c920f6f-75
0.290
MAR-TRE-2fd8122f-69
0.282
MAR-TRE-1c920f6f-34
0.280
TRY-UNI-1fd04853-8
0.280
MAR-TRE-1c920f6f-97
0.278
MAK-UNK-f983951f-23
0.276
MAR-TRE-a3327163-43
0.274
AAR-POS-f650c5f2-3
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MAR-TRE-1c920f6f-46
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MAR-TRE-a3327163-34
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MAR-TRE-1c920f6f-7
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MAR-TRE-dab8f6ea-24
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MAR-TRE-14ce9fd6-65
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RAL-THA-2d450e86-5
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MAR-TRE-0fda4e82-20
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MAR-TRE-a3327163-42
0.250
DRR-IMP-38dce17f-7
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MAK-UNK-6ca90168-14
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MAK-UNK-ca11b4f7-4
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MAR-TRE-14ce9fd6-31
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MAR-TRE-14ce9fd6-77
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MAR-TRE-14ce9fd6-50
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NEL-UNI-1464a899-3
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MAR-TRE-14ce9fd6-24
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MAR-TRE-0fda4e82-14
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MAR-TRE-14ce9fd6-28
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MAR-TRE-14ce9fd6-48
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MAR-TRE-14ce9fd6-57
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AAR-POS-d2a4d1df-21
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NEL-UNI-1464a899-8
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LON-WEI-5e7d1b3e-32
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LON-WEI-4d77710c-32
0.232
MAK-UNK-be3f299e-6
0.229
AAR-POS-d2a4d1df-5
0.228
MAR-TRE-a3327163-73
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MAR-TRE-a3327163-90
0.227
SWA-SYN-6423ea73-7
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SWA-SYN-d2e6fa14-7
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JOH-UNK-14e6adc5-2
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ANN-UNI-26382800-3
0.224
MAR-TRE-a3327163-32
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MAR-TRE-36bf7dba-28
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MAR-TRE-0fda4e82-11
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MAR-TRE-0fda4e82-23
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MAT-POS-b5746674-117
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MAR-TRE-0fda4e82-81
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MAK-UNK-9955b1f3-5
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MAR-TRE-0fda4e82-12
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MAK-UNK-516d8086-9
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MAR-TRE-0fda4e82-56
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MAR-TRE-a3327163-31
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MAR-TRE-a3327163-53
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MAK-UNK-ed378e62-16
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MAR-TRE-14ce9fd6-58
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MAR-TRE-14ce9fd6-12
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MAR-TRE-14ce9fd6-83
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MAR-TRE-14ce9fd6-97
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MAR-TRE-1c920f6f-14
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MAR-TRE-a3327163-67
0.213
NIC-BIO-a68395b7-2
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MAR-TRE-1c920f6f-65
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WAR-XCH-b0339bbe-16
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MAR-TRE-6c5ef77a-14
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MAK-UNK-ed378e62-29
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MAR-TRE-0fda4e82-32
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MAR-TRE-0fda4e82-34
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MAR-TRE-14ce9fd6-87
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AAR-POS-5507155c-3
0.208
MAR-TRE-1c920f6f-22
0.208
NAU-LAT-445f63e5-4
0.208
MAR-TRE-14ce9fd6-18
0.208
MAK-UNK-ed378e62-3
0.208
MAR-TRE-14ce9fd6-25
0.207
MAR-TRE-a3327163-37
0.206
MAR-TRE-14ce9fd6-23
0.205
MAK-UNK-516d8086-1
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MAR-TRE-14ce9fd6-42
0.205