Molecular Properties | |
SMILES: | O=C(Cc1c[nH]c2ncccc12)N1CCS(=O)(=O)CC1 |
MW: | 293.348 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 83.13 |
cLogP: | 0.3624 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1400953190 |
Enamine Extended REAL: | s_22____3014600____7024784 |
Mcule: | MCULE-3339455558 |
MolPort: | MolPort-039-849-394 |
AAR-POS-d2a4d1df-30
IND-SYN-3aa4e743-1
1.000
AAR-POS-d2a4d1df-20
0.719
NIC-BIO-25446079-2
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NIC-BIO-25446079-4
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SWA-SYN-d2e6fa14-9
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SWA-SYN-6423ea73-10
0.640
SAD-SAT-f25ee457-5
0.589
SWA-SYN-d2e6fa14-4
0.570
SWA-SYN-6423ea73-4
0.570
MAR-TRE-3159af1a-90
0.558
NIC-BIO-29f4a211-1
0.547
MAR-TRE-3159af1a-40
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NIC-BIO-29f4a211-2
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NIC-BIO-ec630548-1
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NIC-BIO-25446079-3
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NIC-BIO-ec630548-2
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NIC-BIO-ec630548-4
0.512
MAK-UNK-de8f6d00-3
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MAK-UNK-de8f6d00-8
0.511
MAK-UNK-10572812-9
0.511
NIC-BIO-ec630548-3
0.506
TAM-UNI-c140e31a-5
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MAR-TRE-3159af1a-70
0.506
MAK-UNK-de8f6d00-1
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NIC-BIO-25446079-1
0.500
MAR-TRE-3159af1a-37
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MAK-UNK-de8f6d00-2
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MAK-UNK-de8f6d00-7
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MAK-UNK-de8f6d00-5
0.489
MAR-TRE-3159af1a-16
0.489
TAM-UNI-c140e31a-8
0.489
MAR-TRE-3159af1a-66
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MAK-UNK-10572812-12
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MAK-UNK-de8f6d00-6
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NIC-BIO-96ee2ca4-1
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MAK-UNK-10572812-11
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MAK-UNK-10572812-8
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MAK-UNK-10572812-13
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NIC-BIO-f814dd3d-1
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SAD-SAT-f25ee457-10
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MAR-TRE-3159af1a-2
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ASH-UNK-40b46b30-18
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KAL-WAB-eb347ebe-1
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MAK-UNK-10572812-10
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GAB-FRA-261eb2a6-1
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TAM-UNI-c140e31a-4
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TRY-UNI-1fd04853-9
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MAK-UNK-10572812-2
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MAR-TRE-3159af1a-9
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MAK-UNK-b1917cc8-5
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TAM-UNI-c140e31a-17
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TAM-UNI-c140e31a-18
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MAK-UNK-10572812-1
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TRY-UNI-1fd04853-8
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TRY-UNI-1fd04853-7
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MAR-TRE-3159af1a-8
0.447
MAR-TRE-3159af1a-41
0.444
ANT-DIA-3c79be55-1
0.443
TRY-UNI-1fd04853-11
0.443
SAD-SAT-f25ee457-6
0.441
MAR-UCB-195bc32d-13
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NIC-BIO-96ee2ca4-2
0.436
MAR-TRE-3159af1a-84
0.435
ASH-UNK-40b46b30-14
0.432
DAR-DIA-23aa0b97-12
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MAR-TRE-3159af1a-33
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TRY-UNI-1fd04853-12
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MAR-TRE-3159af1a-76
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TRY-UNI-1fd04853-5
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MAK-UNK-10572812-7
0.419
TRY-UNI-1fd04853-10
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SID-ELM-1f105489-1
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RED-RED-10c9212c-49
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TRY-UNI-1fd04853-6
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DAR-DIA-23aa0b97-1
0.410
ZAC-WAB-d55a3c2e-1
0.404
ZAC-WAB-2baeb60f-1
0.404
DAR-DIA-23aa0b97-2
0.400
MAR-TRE-3159af1a-1
0.398
MAR-TRE-3159af1a-75
0.398
MAR-TRE-3159af1a-99
0.398
MAK-UNK-10572812-6
0.393
SID-ELM-1f105489-9
0.392
MAR-TRE-3159af1a-21
0.389
MAR-TRE-3159af1a-24
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MAR-TRE-3159af1a-44
0.389
ANT-DIA-3c79be55-3
0.382
IND-SYN-6c8299e8-4
0.375
NIC-BIO-5044b423-1
0.373
PET-SGC-fc67af9f-1
0.373
NIC-UNI-f08e2453-1
0.368
MAR-TRE-3159af1a-43
0.365
NAU-LAT-81109c57-7
0.365
JON-UNI-57097b3f-2
0.364
SHR-UNK-cde60afe-1
0.360
ZAC-WAB-86e8bacf-1
0.358
NIC-BIO-174c9b04-2
0.354
TAM-UNI-c140e31a-9
0.353
NIC-BIO-3276ca7f-1
0.352
NIC-BIO-3276ca7f-4
0.352