Molecular Properties | |
SMILES: | Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc3cnccc23)c1 |
MW: | 334.17 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 51.22 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
UNK-UNK-2ede4078-22
0.462
UNK-UNK-2ede4078-51
0.435
UNK-UNK-2ede4078-60
0.404
UNK-UNK-2ede4078-23
0.387
UNK-UNK-2ede4078-32
0.376
UNK-UNK-2ede4078-30
0.366
UNK-UNK-2ede4078-61
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UNK-UNK-2ede4078-50
0.354
ALF-EVA-a24cc7ce-1
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ALF-EVA-a24cc7ce-5
0.343
UNK-UNK-2ede4078-35
0.343
LON-WEI-af038623-9
0.340
UNK-UNK-2ede4078-56
0.340
ALP-POS-f13221e1-2
0.337
JUL-TUD-06b2044f-84
0.324
UNK-UNK-2ede4078-20
0.317
MAT-POS-bb423b95-1
0.309
RAL-THA-2d450e86-13
0.296
MAT-POS-bb423b95-5
0.289
UNK-UNK-2ede4078-38
0.288
RAL-THA-2d450e86-15
0.287
VLA-UNK-82501c2c-1
0.286
RUB-POS-1325a9ea-4
0.284
RAL-THA-2d450e86-3
0.284
CHO-MSK-6e55470f-3
0.282
RAL-THA-2d450e86-18
0.279
MAT-POS-3b92565d-2
0.279
ALP-POS-3b848b35-1
0.279
BAR-COM-0f94fc3d-47
0.278
GAB-REV-70cc3ca5-12
0.276
KEI-TRE-d5e2018a-98
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RAL-THA-2d450e86-11
0.275
BEN-DND-93268d01-6
0.273
DAR-DIA-0587064e-4
0.273
DAR-DIA-0587064e-2
0.273
MAT-POS-c20a539d-6
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MAT-POS-29385cc1-3
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NAU-LAT-0543f7f2-5
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MAT-POS-9ff17035-3
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RAL-THA-2d450e86-39
0.270
RAL-THA-2d450e86-34
0.270
MAT-POS-590ac91e-11
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VLA-UNK-9a7dc93f-7
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MIC-UNK-16ccb665-1
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PET-UNK-8c422e11-3
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RAL-THA-2d450e86-38
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DAR-DIA-0587064e-3
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JIN-POS-6dc588a4-6
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ALP-POS-ddb41b15-6
0.267
MAR-TRE-aca67d11-62
0.266
PET-UNK-bb7ffe78-2
0.266
EDJ-MED-c9f55a56-1
0.266
DAR-DIA-0587064e-7
0.265
EDJ-MED-50011917-2
0.265
RAL-THA-2d450e86-27
0.265
MAT-POS-fce787c2-1
0.264
PET-UNK-cf04cb02-1
0.263
ANN-UNI-98d2bf15-2
0.263
JIN-POS-6dc588a4-3
0.263
UNK-UNK-2ede4078-34
0.263
ALP-POS-f13221e1-4
0.263
ALP-POS-95b75b4d-9
0.263
LON-WEI-9739a092-10
0.262
RAL-THA-2d450e86-6
0.262
VLA-UNK-9a7dc93f-6
0.262
PET-UNK-8c422e11-4
0.261
NAU-LAT-0543f7f2-9
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ALF-EVA-0b412456-3
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EDJ-MED-e58735b6-2
0.260
BEN-DND-93268d01-5
0.260
MAR-UCB-f313ec4d-3
0.260
MIC-UNK-df9dcda8-4
0.259
ALP-POS-f13221e1-1
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DAR-DIA-0587064e-6
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CHO-MSK-6e55470f-19
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JAN-GHE-83b26c96-12
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ALP-POS-95b75b4d-1
0.258
BEN-DND-93268d01-4
0.258
PET-UNK-c9c1e0d8-1
0.257
MAT-POS-c9973a83-1
0.257
BEN-DND-61647d40-15
0.257
RAL-THA-2d450e86-21
0.257
EDJ-MED-e58735b6-4
0.257
GAB-REV-70cc3ca5-8
0.257
UNK-UNK-2ede4078-37
0.257
DAR-DIA-0587064e-5
0.257
CHO-MSK-6e55470f-5
0.257
PET-UNK-b78139fa-18
0.257
MAT-POS-9ff17035-2
0.256
MAT-POS-173a45da-2
0.256
RAL-THA-2d450e86-7
0.255
RAL-THA-2d450e86-23
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ANN-UNI-98d2bf15-5
0.255
MAK-UNK-f203cb68-3
0.255
IVS-FNM-f9a14d04-1
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MAT-POS-281d2ee9-1
0.255
PET-UNK-b87f07d0-2
0.254
JUL-TUD-06b2044f-46
0.254
RAL-THA-1d44ff04-1
0.254
KAD-UNI-877d7bed-15
0.254