Molecular Properties | |
SMILES: | O=C(O)C1CN(C(=O)Cc2c[nH]c3ncccc23)CCO1 |
MW: | 289.11 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 95.52 |
cLogP: | 0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1455213609 |
Enamine REAL: | Z1455213609 |
Mcule: | MCULE-7433255704 |
MolPort: | MolPort-041-934-104 |
MAR-TRE-3159af1a-40
0.625
SAD-SAT-f25ee457-5
0.615
AAR-POS-d2a4d1df-20
0.579
NIC-BIO-25446079-2
0.571
IND-SYN-6c8299e8-5
0.558
IND-SYN-3aa4e743-1
0.558
NIC-BIO-25446079-4
0.557
MAR-TRE-3159af1a-70
0.533
MAR-TRE-3159af1a-66
0.517
NIC-BIO-ec630548-2
0.512
SWA-SYN-6423ea73-4
0.506
SWA-SYN-d2e6fa14-4
0.506
NIC-BIO-29f4a211-1
0.500
MAR-TRE-3159af1a-16
0.500
SWA-SYN-d2e6fa14-9
0.494
SWA-SYN-6423ea73-10
0.494
MAR-TRE-3159af1a-37
0.494
MAK-UNK-de8f6d00-3
0.490
MAK-UNK-de8f6d00-8
0.490
NIC-BIO-29f4a211-2
0.483
NIC-BIO-ec630548-1
0.483
MAK-UNK-de8f6d00-2
0.480
MAK-UNK-de8f6d00-7
0.475
NIC-BIO-ec630548-4
0.472
MAK-UNK-de8f6d00-5
0.470
MAK-UNK-de8f6d00-1
0.469
TAM-UNI-c140e31a-5
0.468
NIC-BIO-f814dd3d-1
0.468
NIC-BIO-ec630548-3
0.467
MAK-UNK-de8f6d00-6
0.465
NIC-BIO-96ee2ca4-1
0.462
NIC-BIO-25446079-3
0.459
MAK-UNK-10572812-7
0.459
NIC-BIO-25446079-1
0.458
TAM-UNI-c140e31a-8
0.454
KAL-WAB-eb347ebe-1
0.444
MAR-TRE-3159af1a-41
0.443
SAD-SAT-f25ee457-10
0.438
MAR-TRE-3159af1a-2
0.433
MAK-UNK-10572812-9
0.433
MAK-UNK-10572812-13
0.430
MAR-TRE-3159af1a-76
0.427
SAD-SAT-f25ee457-6
0.426
MAK-UNK-10572812-12
0.425
NIC-BIO-96ee2ca4-2
0.422
MAK-UNK-10572812-11
0.421
ASH-UNK-40b46b30-18
0.418
ASH-UNK-40b46b30-14
0.417
MAR-TRE-3159af1a-9
0.417
MAK-UNK-10572812-8
0.417
GAB-FRA-261eb2a6-1
0.416
TAM-UNI-c140e31a-4
0.414
MAR-TRE-3159af1a-8
0.412
MAK-UNK-10572812-10
0.409
TAM-UNI-c140e31a-17
0.406
TAM-UNI-c140e31a-18
0.406
MAK-UNK-10572812-2
0.400
MAK-UNK-b1917cc8-5
0.400
MAR-UCB-195bc32d-13
0.400
TRY-UNI-1fd04853-8
0.398
MAK-UNK-10572812-1
0.396
TRY-UNI-1fd04853-7
0.395
ANT-DIA-3c79be55-1
0.393
ZAC-WAB-2baeb60f-1
0.392
ZAC-WAB-d55a3c2e-1
0.392
TRY-UNI-1fd04853-9
0.389
DAR-DIA-23aa0b97-2
0.387
DAR-DIA-23aa0b97-12
0.382
MAR-TRE-3159af1a-33
0.382
RED-RED-10c9212c-49
0.380
TRY-UNI-1fd04853-5
0.378
TRY-UNI-1fd04853-11
0.378
MAR-TRE-3159af1a-84
0.375
MAK-UNK-10572812-6
0.371
DAR-DIA-23aa0b97-1
0.366
TRY-UNI-1fd04853-6
0.366
TRY-UNI-1fd04853-12
0.366
MAR-TRE-3159af1a-75
0.359
TRY-UNI-1fd04853-10
0.358
MAR-TRE-3159af1a-24
0.352
MAR-TRE-3159af1a-74
0.352
SID-ELM-1f105489-9
0.348
MAR-TRE-3159af1a-1
0.346
MAR-TRE-3159af1a-99
0.346
NIC-BIO-3276ca7f-1
0.344
ANT-DIA-3c79be55-3
0.343
MAR-TRE-3159af1a-43
0.340
MAR-TRE-3159af1a-42
0.340
MAR-TRE-3159af1a-21
0.340
MAR-TRE-3159af1a-44
0.340
PET-SGC-fc67af9f-1
0.339
ZAC-WAB-86e8bacf-1
0.337
NIC-UNI-f08e2453-1
0.333
MAR-TRE-3159af1a-81
0.333
SID-ELM-1f105489-1
0.333
MAR-TRE-3159af1a-67
0.330
NIC-BIO-3276ca7f-4
0.330
MAR-TRE-3159af1a-19
0.327
RED-RED-10c9212c-38
0.323
MAR-TRE-3159af1a-65
0.323