Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 |
MW: | 455.522 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 106.25 |
cLogP: | 3.4932 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-de8f6d00-6
0.667
MAK-UNK-de8f6d00-3
0.667
MAK-UNK-de8f6d00-2
0.653
MAK-UNK-de8f6d00-1
0.594
MAK-UNK-de8f6d00-8
0.584
MAK-UNK-de8f6d00-7
0.567
AAR-POS-d2a4d1df-20
0.522
NIC-BIO-25446079-2
0.500
IND-SYN-6c8299e8-5
0.489
IND-SYN-3aa4e743-1
0.489
MAK-UNK-10572812-12
0.487
MAK-UNK-10572812-13
0.478
NIC-BIO-25446079-4
0.474
KAL-WAB-eb347ebe-1
0.473
TAM-UNI-c140e31a-19
0.473
MAR-TRE-3159af1a-90
0.470
MAK-UNK-10572812-10
0.458
SWA-SYN-d2e6fa14-4
0.452
SWA-SYN-6423ea73-4
0.452
MAK-UNK-10572812-11
0.444
SAD-SAT-f25ee457-5
0.444
SWA-SYN-d2e6fa14-9
0.442
SWA-SYN-6423ea73-10
0.442
MAR-TRE-3159af1a-40
0.441
TAM-UNI-c140e31a-5
0.409
TAM-UNI-c140e31a-8
0.398
MAK-UNK-10572812-9
0.395
MAK-UNK-10572812-8
0.393
TAM-UNI-c140e31a-4
0.389
NIC-BIO-29f4a211-1
0.388
MAK-UNK-10572812-1
0.387
NIC-BIO-ec630548-2
0.387
MAR-TRE-3159af1a-37
0.387
SAD-SAT-689b7d5a-5
0.386
MAR-TRE-3159af1a-70
0.384
TAM-UNI-c140e31a-17
0.383
NIC-BIO-25446079-3
0.382
MAR-TRE-3159af1a-66
0.380
MAK-UNK-10572812-2
0.379
JIA-UNI-12b1f9ae-1
0.378
NIC-BIO-ec630548-1
0.377
NIC-BIO-29f4a211-2
0.377
BAR-COM-5694a99d-1
0.375
MAR-TRE-3159af1a-16
0.374
NIC-BIO-96ee2ca4-2
0.373
TAM-UNI-c140e31a-18
0.371
NIC-BIO-ec630548-4
0.370
ANT-DIA-3c79be55-1
0.369
MAR-TRE-3159af1a-2
0.368
ASH-UNK-40b46b30-18
0.368
NIC-BIO-ec630548-3
0.367
NIC-BIO-25446079-1
0.366
NIC-BIO-96ee2ca4-1
0.366
DAR-DIA-23aa0b97-2
0.364
BAR-COM-5694a99d-5
0.362
SAD-SAT-135344c3-7
0.361
NIC-BIO-f814dd3d-1
0.360
SAD-SAT-f25ee457-10
0.360
ASH-UNK-40b46b30-14
0.358
BAR-COM-5694a99d-4
0.356
ASH-UNK-40b46b30-7
0.354
SAD-SAT-f25ee457-6
0.353
BAR-COM-5694a99d-3
0.352
BAR-COM-5694a99d-2
0.352
MAK-UNK-30aad1f1-1
0.351
HUB-UNK-9845d277-4
0.348
HUB-UNK-9845d277-3
0.346
DAR-DIA-23aa0b97-12
0.346
MAR-TRE-3159af1a-76
0.346
DAR-DIA-23aa0b97-1
0.346
MAK-UNK-10572812-7
0.344
SID-ELM-1f105489-1
0.343
TRY-UNI-1fd04853-7
0.343
MAK-UNK-129dcd6f-5
0.343
DAR-DIA-23aa0b97-10
0.343
NIC-UNI-f08e2453-1
0.342
ALE-MCD-4ac17b19-1
0.340
STE-LAU-aafa5dff-1
0.340
LON-WEI-5e7d1b3e-22
0.339
LON-WEI-4d77710c-22
0.339
AAR-POS-d2a4d1df-11
0.337
MAK-UNK-30aad1f1-14
0.336
RED-RED-10c9212c-49
0.333
MAK-UNK-d1e89583-2
0.333
MAK-UNK-b1917cc8-5
0.333
MAR-TRE-3159af1a-9
0.333
MAR-TRE-3159af1a-41
0.333
SAD-SAT-cefd50cc-1
0.333
MAR-TRE-3159af1a-33
0.333
TRY-UNI-1fd04853-8
0.333
GAB-FRA-261eb2a6-1
0.333
MAK-UNK-129dcd6f-4
0.333
MAK-UNK-37f1d6fa-1
0.331
SAD-SAT-135344c3-8
0.330
MAK-UNK-009ebe36-8
0.330
TRY-UNI-1fd04853-11
0.330
TRY-UNI-1fd04853-5
0.330
MAR-TRE-3159af1a-8
0.330
SAD-SAT-689b7d5a-1
0.327
ANT-DIA-3c79be55-3
0.327