Molecular Properties | |
SMILES: | COCCn1cc(CC(=O)Nc2cccc(SC)c2)c2cccnc21 |
MW: | 355.14 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 56.15 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
dyes5A(27)
MAR-TRE-3159af1a-47
0.744
MAR-TRE-3159af1a-85
0.744
MAR-TRE-3159af1a-18
0.667
MAR-TRE-3159af1a-100
0.590
MAR-TRE-3159af1a-13
0.590
MAR-TRE-3159af1a-46
0.564
MAR-TRE-3159af1a-14
0.563
MAR-TRE-3159af1a-73
0.563
MAR-TRE-3159af1a-4
0.560
MAR-TRE-3159af1a-49
0.551
MAR-TRE-3159af1a-5
0.549
MAR-TRE-3159af1a-22
0.521
MAR-TRE-3159af1a-98
0.489
MAR-TRE-3159af1a-94
0.478
MAR-TRE-3159af1a-12
0.475
MAR-TRE-3159af1a-30
0.465
MAR-TRE-3159af1a-27
0.458
MAR-TRE-3159af1a-64
0.457
MAR-TRE-3159af1a-3
0.455
MAR-TRE-3159af1a-68
0.455
MAR-TRE-3159af1a-34
0.443
MAR-TRE-3159af1a-25
0.441
MAR-TRE-3159af1a-15
0.438
MAR-TRE-3159af1a-55
0.438
MAR-TRE-3159af1a-38
0.427
MAR-TRE-14ce9fd6-37
0.402
DAR-DIA-23aa0b97-12
0.323
BAR-COM-4e090d3a-35
0.321
BAR-COM-0f94fc3d-57
0.311
MAR-TRE-3159af1a-53
0.308
DUN-NEW-f8ce3686-9
0.306
MAR-TRE-3159af1a-96
0.305
MAR-TRE-3159af1a-97
0.300
MAR-TRE-f5c2d31c-83
0.298
DAR-DIA-23aa0b97-1
0.298
MAR-TRE-3159af1a-33
0.297
MAR-TRE-799db12b-33
0.294
DAR-DIA-23aa0b97-18
0.292
RAL-MED-2de63afb-12
0.286
IAN-BAS-36ca50f1-1
0.284
MAR-TRE-74c6519b-88
0.283
DUN-NEW-f8ce3686-7
0.282
BAR-COM-4e090d3a-15
0.282
MIC-UNK-66895286-3
0.281
BAR-COM-4e090d3a-66
0.279
ERI-UCB-ce40166b-4
0.279
EDJ-MED-49816e9b-1
0.278
MAR-TRE-b77b7921-90
0.278
MAR-TRE-9d18ae8c-53
0.277
MAR-TRE-f5c2d31c-33
0.276
MAR-TRE-f6f5f473-44
0.275
MIC-UNK-66895286-5
0.275
MAR-TRE-d0525fbf-23
0.274
MIC-UNK-66895286-4
0.273
PET-UNK-8922bd3c-1
0.272
MAR-TRE-3159af1a-57
0.270
ANT-OPE-6e66bf84-2
0.266
KAL-WAB-eb347ebe-1
0.263
BEN-DND-61647d40-15
0.262
MAT-POS-3b92565d-7
0.262
MAR-TRE-9c797165-25
0.261
MAR-TRE-7f7bb9f0-83
0.261
MAR-TRE-f6f5f473-59
0.261
BEN-DND-61647d40-16
0.260
DAR-DIA-842b4336-23
0.260
ANT-OPE-6e66bf84-1
0.259
MAR-TRE-74c6519b-64
0.258
MAR-TRE-14ce9fd6-43
0.257
RAL-MED-2de63afb-3
0.257
MAR-TRE-4b834d9a-39
0.257
MAR-TRE-4b834d9a-3
0.257
MAR-TRE-f5c2d31c-97
0.255
MAR-TRE-66ac689e-37
0.255
MAR-TRE-0fda4e82-47
0.255
MAR-TRE-799db12b-76
0.255
MAK-UNK-c749d764-17
0.253
DAR-DIA-23aa0b97-4
0.253
MAK-UNK-c749d764-23
0.252
DAR-DIA-23aa0b97-19
0.252
UNK-UNK-2ede4078-22
0.252
MAR-TRE-f5c2d31c-15
0.252
MAR-TRE-9d18ae8c-62
0.252
BAR-COM-4e090d3a-54
0.252
MAR-TRE-4b834d9a-2
0.250
ADA-UCB-b1b30a00-3
0.250
ERI-UCB-ce40166b-1
0.250
MAR-TRE-3159af1a-41
0.250
MAR-TRE-d0525fbf-22
0.248
MAR-TRE-fd17a9b8-34
0.248
SAD-SAT-24589cd1-2
0.248
MIC-UNK-66895286-2
0.247
MAR-TRE-b77b7921-10
0.246
MAR-TRE-4b834d9a-20
0.246
MAR-TRE-b77b7921-3
0.246
ERI-UCB-ce40166b-3
0.246
MAR-TRE-d0525fbf-28
0.246
MAR-TRE-a9136c7b-11
0.246
MAR-TRE-6c5ef77a-17
0.246
MAR-TRE-fd17a9b8-12
0.245
MAR-TRE-6c5ef77a-58
0.245