Molecular Properties | |
SMILES: | O=C(Cc1c[nH]c2ncccc12)N1CCCC(N2CCNCC2=O)C1 |
MW: | 341.19 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 81.33 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1739617364 |
Enamine REAL: | Z2440864559 |
Mcule: | MCULE-9317851245 |
MolPort: | MolPort-045-363-312 |
MAR-TRE-3159af1a-70
0.568
SAD-SAT-f25ee457-5
0.557
NIC-BIO-25446079-4
0.523
NIC-BIO-25446079-2
0.517
MAR-TRE-3159af1a-90
0.500
IND-SYN-3aa4e743-1
0.489
IND-SYN-6c8299e8-5
0.489
AAR-POS-d2a4d1df-20
0.489
SWA-SYN-d2e6fa14-9
0.469
SWA-SYN-6423ea73-10
0.469
MAR-TRE-3159af1a-40
0.454
MAR-TRE-3159af1a-37
0.454
TAM-UNI-c140e31a-8
0.448
NIC-BIO-29f4a211-1
0.442
NIC-BIO-25446079-1
0.435
TAM-UNI-c140e31a-5
0.433
NIC-BIO-29f4a211-2
0.429
NIC-BIO-ec630548-1
0.429
MAK-UNK-de8f6d00-8
0.426
NIC-BIO-ec630548-2
0.424
SWA-SYN-6423ea73-4
0.422
SWA-SYN-d2e6fa14-4
0.422
NIC-BIO-ec630548-4
0.420
NIC-BIO-ec630548-3
0.416
MAR-TRE-3159af1a-66
0.416
MAR-TRE-3159af1a-2
0.415
MAR-TRE-3159af1a-10
0.411
NIC-BIO-25446079-3
0.406
SAD-SAT-f25ee457-10
0.406
ASH-UNK-40b46b30-14
0.402
NIC-BIO-96ee2ca4-1
0.400
TAM-UNI-c140e31a-4
0.398
NIC-BIO-f814dd3d-1
0.393
TAM-UNI-c140e31a-18
0.391
TAM-UNI-c140e31a-17
0.391
ASH-UNK-40b46b30-18
0.389
MAK-UNK-de8f6d00-3
0.387
SAD-SAT-f25ee457-6
0.384
MAK-UNK-de8f6d00-1
0.384
MAK-UNK-de8f6d00-6
0.383
MAK-UNK-10572812-7
0.382
MAK-UNK-10572812-11
0.381
MAK-UNK-de8f6d00-2
0.381
MAK-UNK-10572812-9
0.379
MAK-UNK-de8f6d00-7
0.377
GAB-FRA-261eb2a6-1
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MAK-UNK-de8f6d00-5
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MAK-UNK-10572812-10
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NIC-BIO-96ee2ca4-2
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TRY-UNI-1fd04853-8
0.367
MAR-TRE-3159af1a-41
0.366
TRY-UNI-1fd04853-7
0.365
MAR-TRE-3159af1a-8
0.365
ZAC-WAB-2baeb60f-1
0.364
ZAC-WAB-d55a3c2e-1
0.364
ANT-DIA-3c79be55-1
0.364
MAR-TRE-3159af1a-84
0.362
KAL-WAB-eb347ebe-1
0.362
MAK-UNK-10572812-12
0.361
MAK-UNK-10572812-8
0.355
MAK-UNK-10572812-13
0.355
MAK-UNK-b1917cc8-5
0.354
MAR-TRE-3159af1a-9
0.354
MAR-TRE-3159af1a-33
0.354
TRY-UNI-1fd04853-6
0.353
MAK-UNK-10572812-2
0.352
TRY-UNI-1fd04853-5
0.350
MAK-UNK-10572812-1
0.350
TRY-UNI-1fd04853-9
0.347
DAR-DIA-23aa0b97-2
0.346
RED-RED-10c9212c-43
0.345
DAR-DIA-23aa0b97-12
0.340
TRY-UNI-1fd04853-12
0.340
RED-RED-10c9212c-49
0.340
DAR-DIA-23aa0b97-1
0.340
MAR-TRE-3159af1a-76
0.340
MAR-UCB-195bc32d-13
0.337
TRY-UNI-1fd04853-11
0.337
MAR-TRE-3159af1a-1
0.336
TRY-UNI-1fd04853-10
0.333
PET-SGC-fc67af9f-1
0.331
MAR-TRE-3159af1a-21
0.330
MAK-UNK-10572812-6
0.328
MAR-TRE-3159af1a-75
0.325
MAR-TRE-3159af1a-99
0.325
MAR-TRE-3159af1a-81
0.324
ANT-DIA-3c79be55-3
0.321
NIC-BIO-3276ca7f-4
0.321
NIC-BIO-3276ca7f-1
0.321
MAR-TRE-3159af1a-44
0.319
MAR-TRE-3159af1a-24
0.319
DOU-UNK-b5326f8f-15
0.317
ZAC-WAB-86e8bacf-1
0.316
MAR-TRE-3159af1a-45
0.316
TAM-UNI-c140e31a-9
0.314
DOU-UNK-b5326f8f-17
0.312
NIC-BIO-3276ca7f-5
0.312
MAR-TRE-3159af1a-19
0.306
MAR-TRE-3159af1a-43
0.305
MAR-TRE-3159af1a-61
0.303