Molecular Properties | |
SMILES: | Nc1ccc(CCC(=O)N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 |
MW: | 419.51 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 94.11 |
cLogP: | 3.2632 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
aniline
aniline
analine
ALP-POS-bad7201a-5
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RAL-THA-4a5dabff-1
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PET-UNK-b75fdf9f-1
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ALP-POS-c0c213c9-6
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RUT-UNI-630c5802-17
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RUT-UNI-630c5802-18
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ALP-POS-d2866bdf-1
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RAL-THA-4a5dabff-3
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RUT-UNI-630c5802-19
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PET-UNK-b75fdf9f-2
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RUT-UNI-630c5802-25
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RUT-UNI-630c5802-21
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RUT-UNI-630c5802-20
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ALP-POS-c59291d4-4
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RUT-UNI-630c5802-24
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ALP-POS-c59291d4-1
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RUT-UNI-630c5802-22
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RAL-THA-4a5dabff-2
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PET-UNK-1901c25b-2
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RUT-UNI-630c5802-26
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ALP-POS-6d04362c-3
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RUT-UNI-630c5802-27
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HOL-KAN-828c7b64-1
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ROB-IMP-e811baff-1
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ALP-POS-c59291d4-3
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ALP-POS-6d04362c-4
0.471
ALP-POS-c59291d4-2
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RUT-UNI-630c5802-1
0.467
RAL-THA-4a5dabff-8
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RAL-THA-4a5dabff-4
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MAT-POS-ffe83904-1
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OLG-UNK-911c2067-1
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RAL-THA-4a5dabff-5
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MAR-LAB-ca4662a6-7
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EDJ-MED-06d94977-2
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ALP-POS-87c86d55-1
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RAL-THA-4a5dabff-7
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AAR-POS-8a4e0f60-1
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CHO-MSK-00c5269a-2
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RAL-THA-4a5dabff-6
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UNK-UNK-2ede4078-81
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AAR-POS-8a4e0f60-8
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CHO-MSK-00c5269a-1
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ALP-POS-6d04362c-1
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ALP-POS-c0c213c9-15
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UNK-UNK-2ede4078-94
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ALP-POS-87c86d55-2
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CHO-MSK-00c5269a-3
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ALP-POS-6d04362c-2
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ALP-POS-bad7201a-15
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HOL-KAN-47917554-1
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DAR-DIA-093892e4-7
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PET-UNK-7374c256-2
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PET-UNK-1901c25b-3
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ALP-POS-75715966-1
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DAR-DIA-093892e4-4
0.357
RUT-UNI-630c5802-9
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MAD-UNK-84a4f939-1
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MAD-UNK-b1ea4171-1
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MAR-LAB-ff9967db-24
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ALP-POS-75715966-5
0.355
DAR-DIA-093892e4-5
0.355
DAR-DIA-093892e4-11
0.355
DAR-DIA-093892e4-1
0.354
EDJ-MED-06d94977-1
0.353
UNK-UNK-2ede4078-29
0.350
AAR-POS-8a4e0f60-4
0.350
ALP-POS-bad7201a-14
0.349
DAR-DIA-093892e4-12
0.348
CHO-MSK-00c5269a-5
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DAR-DIA-093892e4-8
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MAR-LAB-ca4662a6-8
0.347
ALP-POS-6d04362c-5
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DAR-DIA-093892e4-3
0.345
ALP-POS-c0c213c9-18
0.342
ALP-POS-7c842ab8-1
0.342
DAR-DIA-093892e4-9
0.342
MAR-LAB-ff9967db-3
0.342
MAT-POS-06036648-1
0.340
ALP-POS-bad7201a-9
0.339
WIL-UNI-2e73223c-1
0.339
DAR-DIA-093892e4-2
0.339
ANT-DIA-62e4526e-1
0.337
MAT-POS-3b92565d-13
0.337
MAR-LAB-ff9967db-30
0.336
CHO-MSK-00c5269a-4
0.336
MAT-POS-06036648-5
0.333
MAT-POS-3b92565d-14
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BEN-DND-61647d40-12
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AAR-POS-8a4e0f60-7
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DAR-DIA-093892e4-6
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BEN-DND-02317c5c-12
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MAT-POS-bfb445d4-1
0.333
MAT-POS-06036648-2
0.330
RUT-UNI-630c5802-5
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ANT-OPE-45835252-1
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NAU-LAT-3f5f3993-4
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RUT-UNI-630c5802-13
0.325
UNK-UNK-2ede4078-8
0.325
MAR-LAB-ff9967db-19
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