Molecular Properties | |
SMILES: | CC(C)NC(=O)C1CCN(CCc2c[nH]c3ncccc23)CC1 |
MW: | 314.21 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 61.02 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3159af1a-24
0.756
MAR-TRE-3159af1a-99
0.690
MAR-TRE-3159af1a-1
0.651
MAR-TRE-3159af1a-75
0.651
MAR-TRE-3159af1a-44
0.636
MAR-TRE-3159af1a-21
0.636
NIC-BIO-25446079-3
0.448
NIC-BIO-25446079-4
0.437
IND-SYN-6c8299e8-5
0.435
AAR-POS-d2a4d1df-20
0.435
IND-SYN-3aa4e743-1
0.435
NIC-BIO-25446079-2
0.430
MAR-TRE-3159af1a-9
0.424
SAD-SAT-f25ee457-5
0.422
ZAC-WAB-86e8bacf-1
0.410
NIC-BIO-29f4a211-2
0.409
NIC-BIO-29f4a211-1
0.407
MAR-TRE-3159af1a-37
0.404
MAR-TRE-3159af1a-8
0.402
MAR-TRE-3159af1a-70
0.400
NIC-BIO-25446079-1
0.398
NIC-BIO-ec630548-3
0.396
NIC-BIO-ec630548-1
0.394
SWA-SYN-6423ea73-10
0.392
SWA-SYN-d2e6fa14-9
0.392
MAK-UNK-b1917cc8-5
0.391
MAR-UCB-195bc32d-13
0.390
NIC-BIO-ec630548-2
0.389
NIC-BIO-ec630548-4
0.385
MAR-TRE-3159af1a-66
0.381
NIC-BIO-3276ca7f-4
0.379
MAR-TRE-3159af1a-40
0.375
MAR-TRE-3159af1a-90
0.375
NIC-BIO-f814dd3d-1
0.373
SAD-SAT-f25ee457-10
0.373
RED-RED-10c9212c-49
0.372
ZAC-WAB-d55a3c2e-1
0.370
ZAC-WAB-2baeb60f-1
0.370
MAR-TRE-3159af1a-2
0.369
KAL-WAB-eb347ebe-1
0.368
NIC-BIO-3276ca7f-5
0.367
NIC-BIO-96ee2ca4-1
0.366
MAK-UNK-10572812-12
0.366
NIC-BIO-3276ca7f-1
0.365
SAD-SAT-f25ee457-6
0.364
MAR-TRE-3159af1a-16
0.362
NAU-LAT-81109c57-7
0.362
DAR-DIA-23aa0b97-12
0.359
MAR-TRE-3159af1a-33
0.359
MAR-TRE-3159af1a-41
0.358
NIC-BIO-3276ca7f-6
0.356
TRY-UNI-1fd04853-7
0.356
NIC-BIO-5044b423-1
0.355
TRY-UNI-1fd04853-11
0.355
DOU-UNK-b5326f8f-15
0.354
TRY-UNI-1fd04853-9
0.351
NIC-BIO-174c9b04-1
0.348
DOU-UNK-b5326f8f-17
0.348
SWA-SYN-6423ea73-4
0.347
SWA-SYN-d2e6fa14-4
0.347
TRY-UNI-1fd04853-8
0.344
MAR-TRE-3159af1a-76
0.344
ASH-UNK-40b46b30-18
0.343
GAB-FRA-261eb2a6-1
0.343
MAK-UNK-10572812-7
0.342
SID-ELM-1f105489-9
0.341
TRY-UNI-1fd04853-5
0.340
ANT-DIA-3c79be55-1
0.340
TAM-UNI-c140e31a-8
0.336
NIC-BIO-96ee2ca4-2
0.336
MAK-UNK-de8f6d00-2
0.336
MAK-UNK-10572812-9
0.336
MAK-UNK-10572812-8
0.336
MAK-UNK-10572812-13
0.336
TAM-UNI-c140e31a-5
0.333
TAM-UNI-c140e31a-18
0.333
PET-SGC-fc67af9f-1
0.333
SHR-UNK-cde60afe-1
0.333
MAK-UNK-de8f6d00-7
0.333
TAM-UNI-c140e31a-17
0.333
SID-UNK-90efdc9b-1
0.333
MAK-UNK-10572812-6
0.331
MAK-UNK-10572812-10
0.331
MAK-UNK-de8f6d00-3
0.330
MAK-UNK-de8f6d00-8
0.330
NIC-BIO-174c9b04-3
0.330
TRY-UNI-1fd04853-6
0.330
DAR-DIA-23aa0b97-1
0.330
TRY-UNI-1fd04853-12
0.330
JON-UNI-57097b3f-2
0.330
MAK-UNK-10572812-11
0.328
TAM-UNI-c140e31a-9
0.327
MAK-UNK-de8f6d00-1
0.327
TAM-UNI-c140e31a-4
0.327
MAR-TRE-3159af1a-69
0.327
MAR-TRE-3159af1a-32
0.324
ANT-DIA-3c79be55-3
0.324
DAR-DIA-23aa0b97-2
0.323
TRY-UNI-1fd04853-10
0.323
MAR-TRE-3159af1a-93
0.323