Molecular Properties | |
SMILES: | CC(=O)N1CCC(Nc2ccsc2)CC1 |
MW: | 224.1 |
Fraction sp3: | 0.55 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 32.34 |
cLogP: | 2.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
MolPort: | MolPort-024-982-554 |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-20
0.745
MAK-UNK-212f693e-19
0.735
MAK-UNK-212f693e-33
0.700
MAK-UNK-212f693e-13
0.686
WAR-XCH-b6889685-31
0.492
MAK-UNK-212f693e-5
0.472
MAK-UNK-212f693e-16
0.463
MAK-UNK-212f693e-2
0.446
MAK-UNK-6ca90168-19
0.389
MAK-UNK-4c6b313a-1
0.368
MAK-UNK-6435e6c2-11
0.368
MAK-UNK-6435e6c2-10
0.368
MAK-UNK-6435e6c2-3
0.368
MAK-UNK-212f693e-3
0.365
MAK-UNK-212f693e-1
0.362
MAK-UNK-212f693e-24
0.361
MAK-UNK-e4a48a85-2
0.356
MAK-UNK-212f693e-35
0.355
SAD-SAT-6b5a89f0-10
0.346
DAV-IMP-59dd6621-21
0.345
NIR-THE-0d6461ce-1
0.343
MAK-UNK-e4a48a85-1
0.343
MAK-UNK-212f693e-4
0.338
MAK-UNK-212f693e-18
0.333
MAK-UNK-212f693e-23
0.333
MAK-UNK-212f693e-34
0.333
DRA-CSI-47e38074-2
0.333
MAK-UNK-212f693e-32
0.328
MAK-UNK-212f693e-21
0.328
NIR-THE-0d6461ce-9
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MAK-UNK-212f693e-15
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NAU-LAT-3f5f3993-2
0.319
GIA-UNK-a79af1bc-1
0.318
MAK-UNK-212f693e-17
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MAK-UNK-212f693e-27
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MAK-UNK-212f693e-29
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MAK-UNK-212f693e-25
0.308
MAK-UNK-212f693e-31
0.308
MAK-UNK-acefcb18-12
0.304
MAK-UNK-212f693e-22
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MAK-UNK-212f693e-28
0.303
MAK-UNK-212f693e-10
0.303
WAR-XCH-b6889685-35
0.303
SAD-SAT-bc31ec01-9
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MAK-UNK-10dfa458-18
0.297
AHN-SAT-02ef6d10-9
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MAK-UNK-acefcb18-7
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MAT-POS-ee51dedd-2
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MAK-UNK-902cc841-17
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MAK-UNK-6ca90168-20
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MAK-UNK-212f693e-26
0.290
MAK-UNK-212f693e-11
0.290
MAK-UNK-212f693e-30
0.288
MAK-UNK-acefcb18-6
0.288
MAK-UNK-212f693e-7
0.286
MAK-UNK-902cc841-14
0.282
MAK-UNK-212f693e-8
0.281
LON-WEI-8f408cad-7
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MAK-UNK-10dfa458-1
0.281
AAR-POS-0daf6b7e-13
0.281
GIA-UNK-995df016-6
0.281
ZAC-WAB-0847d168-1
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NIR-THE-0d6461ce-5
0.278
JON-UIO-066ce08b-5
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AAR-POS-fca48359-5
0.275
MAK-UNK-10dfa458-10
0.275
MAK-UNK-902cc841-18
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MAK-UNK-212f693e-6
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MAK-UNK-6435e6c2-2
0.274
MAK-UNK-212f693e-9
0.273
MAK-UNK-10dfa458-46
0.273
JON-UNI-bb9dc649-9
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SAD-SAT-2fd372d1-4
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MAK-UNK-6435e6c2-1
0.270
MAK-UNK-acefcb18-13
0.268
MAR-TRE-6c5ef77a-34
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DAR-DIA-842b4336-1
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MAK-UNK-6ca90168-22
0.264
MAK-UNK-212f693e-12
0.264
EDJ-MED-3c65e9ce-2
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JAN-GHE-fd8d85a5-8
0.263
MAK-UNK-902cc841-4
0.261
MAK-UNK-902cc841-13
0.261
JON-UNI-bb9dc649-19
0.260
JON-UNI-bb9dc649-20
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JON-UNI-bb9dc649-14
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MAK-UNK-902cc841-2
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ANT-DIA-045cfdc4-1
0.258
MAK-UNK-10dfa458-20
0.258
DRA-CSI-47e38074-3
0.258
MAR-TRE-be9ff7d2-88
0.257
JON-UNI-bb9dc649-2
0.257
DAN-MCD-7eba3d41-1
0.256
KRI-MAR-d2e3ef86-3
0.256
WAR-XCH-79d12f6e-4
0.254
MIH-UNI-6b9ca91a-2
0.253
MAK-UNK-009ebe36-10
0.253
MAK-UNK-902cc841-1
0.253
AAR-POS-0daf6b7e-21
0.250
NAU-LAT-56d5284e-3
0.250