Molecular Properties | |
SMILES: | NCCNC(=O)C1CCCN(C(=O)Cc2c[nH]c3ncccc23)C1 |
MW: | 329.19 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 104.11 |
cLogP: | 0.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2440089411 |
Mcule: | MCULE-6314798830 |
MolPort: | MolPort-045-292-486 |
MAR-TRE-3159af1a-16
0.568
SAD-SAT-f25ee457-5
0.558
NIC-BIO-25446079-2
0.554
NIC-BIO-25446079-4
0.541
MAR-TRE-3159af1a-90
0.533
SWA-SYN-6423ea73-10
0.516
SWA-SYN-d2e6fa14-9
0.516
AAR-POS-d2a4d1df-20
0.506
IND-SYN-6c8299e8-5
0.506
IND-SYN-3aa4e743-1
0.506
MAR-TRE-3159af1a-40
0.484
MAR-TRE-3159af1a-37
0.468
MAK-UNK-10572812-7
0.465
SWA-SYN-6423ea73-4
0.464
SWA-SYN-d2e6fa14-4
0.464
NIC-BIO-ec630548-4
0.463
NIC-BIO-ec630548-3
0.458
NIC-BIO-29f4a211-1
0.457
NIC-BIO-ec630548-2
0.453
TAM-UNI-c140e31a-8
0.447
NIC-BIO-29f4a211-2
0.442
NIC-BIO-ec630548-1
0.442
NIC-BIO-96ee2ca4-1
0.440
NIC-BIO-25446079-1
0.433
SAD-SAT-f25ee457-10
0.431
TAM-UNI-c140e31a-5
0.431
MAK-UNK-10572812-9
0.427
MAK-UNK-de8f6d00-8
0.425
NIC-BIO-25446079-3
0.419
MAK-UNK-10572812-11
0.416
MAK-UNK-10572812-6
0.415
TAM-UNI-c140e31a-17
0.415
TAM-UNI-c140e31a-18
0.415
MAR-TRE-3159af1a-66
0.414
MAK-UNK-10572812-8
0.412
MAK-UNK-10572812-13
0.412
TAM-UNI-c140e31a-4
0.410
TRY-UNI-1fd04853-7
0.407
MAR-TRE-3159af1a-41
0.406
MAK-UNK-10572812-10
0.405
NIC-BIO-f814dd3d-1
0.404
ZAC-WAB-d55a3c2e-1
0.402
ZAC-WAB-2baeb60f-1
0.402
ASH-UNK-40b46b30-14
0.400
ASH-UNK-40b46b30-18
0.400
MAR-TRE-3159af1a-84
0.400
MAK-UNK-de8f6d00-3
0.398
GAB-FRA-261eb2a6-1
0.398
MAR-TRE-3159af1a-1
0.396
MAR-TRE-3159af1a-75
0.396
MAK-UNK-10572812-12
0.395
MAK-UNK-de8f6d00-1
0.394
MAK-UNK-de8f6d00-6
0.393
MAR-TRE-3159af1a-8
0.391
NIC-BIO-96ee2ca4-2
0.391
MAK-UNK-de8f6d00-2
0.391
TRY-UNI-1fd04853-11
0.389
MAR-TRE-3159af1a-21
0.389
MAR-TRE-3159af1a-44
0.389
MAK-UNK-de8f6d00-7
0.387
MAR-TRE-3159af1a-2
0.387
MAK-UNK-de8f6d00-5
0.384
MAR-TRE-3159af1a-99
0.383
SAD-SAT-f25ee457-6
0.382
MAK-UNK-10572812-1
0.381
MAR-TRE-3159af1a-9
0.380
MAR-UCB-195bc32d-13
0.379
TRY-UNI-1fd04853-8
0.379
MAR-TRE-3159af1a-33
0.379
RED-RED-10c9212c-49
0.378
TRY-UNI-1fd04853-5
0.375
PET-SGC-fc67af9f-1
0.374
KAL-WAB-eb347ebe-1
0.374
MAK-UNK-10572812-2
0.373
MAR-TRE-f6f5f473-6
0.372
TRY-UNI-1fd04853-9
0.371
MAK-UNK-b1917cc8-5
0.366
TRY-UNI-1fd04853-6
0.364
TRY-UNI-1fd04853-12
0.364
MAR-TRE-3159af1a-76
0.364
ANT-DIA-3c79be55-1
0.361
MAR-TRE-3159af1a-24
0.351
DAR-DIA-23aa0b97-12
0.351
ZAC-WAB-86e8bacf-1
0.349
NIC-BIO-3276ca7f-5
0.346
DAR-DIA-23aa0b97-2
0.343
TRY-UNI-1fd04853-10
0.343
RED-RED-10c9212c-43
0.343
MAR-TRE-3159af1a-43
0.340
DAR-DIA-23aa0b97-1
0.337
TAM-UNI-c140e31a-9
0.333
NIC-BIO-3276ca7f-4
0.330
NIC-BIO-3276ca7f-1
0.330
SHR-UNK-cde60afe-1
0.328
MAR-TRE-3159af1a-42
0.327
NIC-BIO-3276ca7f-6
0.324
SID-ELM-1f105489-9
0.320
NAU-LAT-81109c57-7
0.319
ANT-DIA-3c79be55-3
0.318
MAR-TRE-3159af1a-61
0.311