Molecular Properties | |
SMILES: | N#Cc1cccnc1SCC(=O)Nc1ccccc1 |
MW: | 269.06 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.78 |
cLogP: | 2.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3428223061 |
MolPort: | MolPort-002-314-086 |
MAR-TRE-1c920f6f-47
0.742
MAR-TRE-6c5ef77a-66
0.730
MAR-TRE-6c5ef77a-67
0.697
MAR-TRE-0fda4e82-76
0.687
MAR-TRE-6c5ef77a-64
0.676
MAR-TRE-14ce9fd6-43
0.672
MAR-TRE-0fda4e82-47
0.662
MAR-TRE-1c920f6f-44
0.662
MAR-TRE-14ce9fd6-37
0.657
MAR-TRE-6c5ef77a-58
0.648
MAR-TRE-0fda4e82-72
0.648
MAR-TRE-6c5ef77a-46
0.647
MAR-TRE-14ce9fd6-27
0.638
MAR-TRE-1c920f6f-3
0.636
MAR-TRE-1c920f6f-26
0.620
MAR-TRE-6c5ef77a-51
0.611
MAR-TRE-0fda4e82-29
0.611
MAR-TRE-1c920f6f-30
0.611
MAR-TRE-1c920f6f-74
0.609
MAR-TRE-a3327163-15
0.603
MAR-TRE-6c5ef77a-26
0.586
MAR-TRE-6c5ef77a-20
0.577
MAR-TRE-6c5ef77a-14
0.569
MAR-TRE-0fda4e82-89
0.562
MAR-TRE-6c5ef77a-33
0.562
MAR-TRE-6c5ef77a-55
0.557
MAR-TRE-0fda4e82-90
0.554
MAR-TRE-6c5ef77a-96
0.547
MAR-TRE-1c920f6f-49
0.547
MAR-TRE-14ce9fd6-1
0.535
MAR-TRE-14ce9fd6-61
0.484
MAR-TRE-1c920f6f-10
0.466
MAR-TRE-1c920f6f-82
0.456
MAR-TRE-6c5ef77a-93
0.453
MAR-TRE-1c920f6f-75
0.405
GIA-UNK-3f36037a-7
0.397
MAR-TRE-0fda4e82-84
0.383
MAR-TRE-0fda4e82-31
0.365
MAR-TRE-a3327163-71
0.364
MAR-TRE-a3327163-82
0.361
MAR-TRE-1c920f6f-20
0.361
MAR-TRE-6c5ef77a-74
0.354
SAD-SAT-6b5a89f0-8
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MAR-TRE-1c920f6f-100
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MAR-TRE-0fda4e82-63
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MAR-TRE-a3327163-42
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MAR-TRE-d0525fbf-93
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MAR-TRE-4f781e27-98
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MAR-TRE-6c5ef77a-40
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MAR-TRE-a3327163-43
0.333
MAR-TRE-a3327163-88
0.333
MAR-TRE-f5c2d31c-6
0.330
MAR-TRE-6c5ef77a-47
0.330
MAR-TRE-1c920f6f-65
0.329
MAR-TRE-a3327163-53
0.329
MAR-TRE-a3327163-48
0.329
MAR-TRE-14ce9fd6-7
0.326
MAR-TRE-1c920f6f-19
0.326
SAN-PRS-52b81272-2
0.324
MAR-TRE-a3327163-24
0.324
MAR-TRE-6c5ef77a-32
0.322
MAR-TRE-1c920f6f-95
0.322
MAR-TRE-a3327163-35
0.321
MAR-TRE-0fda4e82-11
0.321
MAR-TRE-14ce9fd6-6
0.319
MAR-TRE-a3327163-61
0.317
MAR-TRE-0fda4e82-81
0.316
MAR-TRE-0fda4e82-14
0.316
MAR-TRE-0fda4e82-56
0.312
MAR-TRE-6c5ef77a-17
0.312
MAR-TRE-4b834d9a-81
0.312
MAR-TRE-6c5ef77a-35
0.311
MAR-TRE-a3327163-66
0.311
GIA-UNK-3f36037a-2
0.311
MAR-TRE-0fda4e82-1
0.310
MAR-TRE-14ce9fd6-68
0.310
MAR-TRE-a3327163-20
0.310
MAR-TRE-0fda4e82-59
0.308
NAU-LAT-445f63e5-4
0.308
MAR-TRE-a3327163-54
0.306
MAR-TRE-14ce9fd6-59
0.306
MAR-TRE-14ce9fd6-78
0.306
WIL-LEE-23e8b574-6
0.306
MAK-UNK-30aad1f1-9
0.303
MAR-TRE-4f781e27-49
0.303
ANT-DIA-3c79be55-1
0.302
MAR-TRE-a3327163-32
0.301
MAR-TRE-b77b7921-58
0.298
SID-ELM-8b394441-1
0.297
SID-ELM-8b394441-3
0.297
ANT-DIA-3c79be55-2
0.295
JOH-SUS-bab12148-1
0.294
MAR-TRE-2fd8122f-46
0.293
MAR-TRE-a3327163-40
0.293
MAK-UNK-a7b37c5e-3
0.293
MAK-UNK-30aad1f1-17
0.293
MAR-TRE-1c920f6f-96
0.292
MAR-TRE-0fda4e82-96
0.292
MAR-TRE-6c5ef77a-92
0.292
MAR-TRE-74c6519b-44
0.292