Molecular Properties | |
SMILES: | CCC(=O)N1CCC(Oc2ccsc2)CC1 |
MW: | 239.1 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-212f693e-31
0.780
MAK-UNK-212f693e-10
0.765
MAK-UNK-212f693e-23
0.750
MAK-UNK-212f693e-2
0.735
MAK-UNK-212f693e-21
0.700
MAK-UNK-212f693e-24
0.673
MAK-UNK-212f693e-25
0.648
MAK-UNK-212f693e-29
0.648
MAK-UNK-212f693e-27
0.648
MAK-UNK-212f693e-22
0.636
MAK-UNK-212f693e-28
0.636
MAK-UNK-212f693e-30
0.618
MAK-UNK-212f693e-26
0.603
MAK-UNK-212f693e-4
0.492
MAK-UNK-212f693e-12
0.484
MAK-UNK-212f693e-19
0.483
MAK-UNK-212f693e-35
0.467
MAK-UNK-212f693e-11
0.453
MAK-UNK-212f693e-3
0.452
MAK-UNK-212f693e-7
0.393
MAK-UNK-212f693e-9
0.375
MAK-UNK-212f693e-1
0.361
MAK-UNK-212f693e-33
0.348
MAK-UNK-212f693e-13
0.343
MAK-UNK-212f693e-16
0.339
MAK-UNK-212f693e-14
0.333
MAK-UNK-212f693e-34
0.333
MAK-UNK-212f693e-32
0.328
GIA-UNK-995df016-7
0.328
MAK-UNK-6ca90168-22
0.319
MAK-UNK-212f693e-15
0.303
MAK-UNK-212f693e-20
0.303
MAK-UNK-6ca90168-20
0.292
MAK-UNK-a7992eb3-1
0.284
AAR-POS-0daf6b7e-13
0.284
MAK-UNK-212f693e-8
0.284
LON-WEI-8f408cad-7
0.284
MAK-UNK-10dfa458-1
0.284
MAK-UNK-6435e6c2-3
0.281
AHN-SAT-02ef6d10-9
0.279
MAK-UNK-acefcb18-31
0.279
MAK-UNK-a7992eb3-11
0.278
MAT-POS-ee51dedd-2
0.275
MAK-UNK-6ca90168-19
0.274
MAK-UNK-212f693e-17
0.273
WAR-XCH-b6889685-19
0.273
JON-UIO-066ce08b-11
0.270
GIA-UNK-5ec6c2b8-5
0.265
MAK-UNK-987948f6-15
0.264
MAK-UNK-a7992eb3-16
0.263
ANT-DIA-62e4526e-1
0.263
MAK-UNK-6435e6c2-11
0.262
MAK-UNK-4c6b313a-1
0.262
MAK-UNK-212f693e-5
0.262
MAK-UNK-6435e6c2-10
0.262
MAK-UNK-e4a48a85-24
0.261
MAK-UNK-10dfa458-18
0.261
MAK-UNK-7c9d1431-25
0.260
MAR-TRE-6a44bbf2-53
0.260
AHN-SAT-02ef6d10-4
0.260
SAD-SAT-b55127ae-7
0.259
MAK-UNK-212f693e-6
0.258
NIM-UNI-43fe0159-3
0.257
MAK-UNK-a7992eb3-15
0.257
NIM-UNI-43fe0159-9
0.257
ANT-DIA-045cfdc4-2
0.256
MAK-UNK-e4a48a85-1
0.256
BEN-VAN-d8fd1356-25
0.256
MAK-UNK-acefcb18-14
0.256
GIA-UNK-595fac82-2
0.250
LON-WEI-120e5cf5-14
0.250
BEN-VAN-d8fd1356-26
0.250
GIA-UNK-595fac82-3
0.247
SAD-SAT-bc31ec01-9
0.246
AAR-POS-d2a4d1df-7
0.246
SAD-SAT-d8079f6f-4
0.246
MAK-UNK-a7992eb3-14
0.245
MAK-UNK-176ca439-4
0.244
MAK-UNK-3c359d2a-1
0.244
BEN-VAN-d8fd1356-28
0.244
BEN-VAN-d8fd1356-27
0.244
NIM-UNI-43fe0159-10
0.244
MAK-UNK-10dfa458-10
0.243
JOH-IMS-cc7b4c67-1
0.243
MAK-UNK-6ca90168-11
0.243
AAR-POS-d2a4d1df-6
0.243
MAK-UNK-10dfa458-20
0.243
MAR-TRE-a3327163-19
0.243
ANT-DIA-045cfdc4-1
0.243
AAR-POS-d2a4d1df-14
0.242
MAK-UNK-5e88aa6a-2
0.242
MAK-UNK-acefcb18-12
0.242
MAK-UNK-7264f48c-2
0.241
MAK-UNK-e4a48a85-2
0.241
BEN-DND-6de5dfa0-1
0.241
BEN-DND-09b88bf4-2
0.241
BEN-DND-03406596-7
0.241
MAK-UNK-3f402c2b-22
0.240
MAK-UNK-af83ef51-6
0.240
DAN-MCD-0c04f563-1
0.239