Molecular Properties | |
SMILES: | O=C(O)CC1COCCN1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 303.12 |
Fraction sp3: | 0.4 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 95.52 |
cLogP: | 0.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NIC-BIO-29f4a211-2
0.560
NIC-BIO-ec630548-1
0.560
NIC-BIO-f814dd3d-1
0.538
NIC-BIO-29f4a211-1
0.524
MAR-TRE-3159af1a-37
0.517
MAR-TRE-3159af1a-90
0.517
NIC-BIO-ec630548-2
0.517
NIC-BIO-96ee2ca4-1
0.516
NIC-BIO-25446079-2
0.500
NIC-BIO-ec630548-4
0.494
NIC-BIO-ec630548-3
0.489
NIC-BIO-25446079-4
0.488
AAR-POS-d2a4d1df-20
0.488
IND-SYN-3aa4e743-1
0.488
IND-SYN-6c8299e8-5
0.488
NIC-BIO-96ee2ca4-2
0.485
MAR-TRE-3159af1a-2
0.484
GAB-FRA-261eb2a6-1
0.480
SAD-SAT-f25ee457-5
0.471
MAR-TRE-3159af1a-40
0.467
SAD-SAT-f25ee457-10
0.458
SWA-SYN-d2e6fa14-9
0.452
SWA-SYN-6423ea73-10
0.452
MAR-TRE-3159af1a-76
0.449
NIC-BIO-25446079-3
0.448
NIC-BIO-25446079-1
0.447
KAL-WAB-eb347ebe-1
0.434
MAR-TRE-3159af1a-9
0.424
MAK-UNK-b1917cc8-5
0.424
MAR-TRE-3159af1a-8
0.419
SWA-SYN-d2e6fa14-4
0.417
SWA-SYN-6423ea73-4
0.417
MAR-TRE-3159af1a-16
0.416
MAR-TRE-3159af1a-70
0.414
TAM-UNI-c140e31a-5
0.414
ASH-UNK-40b46b30-18
0.410
MAK-UNK-de8f6d00-8
0.408
MAR-UCB-195bc32d-13
0.407
MAK-UNK-de8f6d00-1
0.404
TRY-UNI-1fd04853-7
0.402
MAR-TRE-3159af1a-41
0.402
TAM-UNI-c140e31a-8
0.402
MAK-UNK-de8f6d00-7
0.396
MAK-UNK-de8f6d00-3
0.394
TAM-UNI-c140e31a-4
0.392
SAD-SAT-f25ee457-6
0.390
MAK-UNK-de8f6d00-6
0.389
DAR-DIA-23aa0b97-12
0.389
TRY-UNI-1fd04853-8
0.389
MAK-UNK-10572812-6
0.388
MAR-TRE-dab8f6ea-3
0.388
MAK-UNK-de8f6d00-2
0.387
MAK-UNK-10572812-9
0.385
TRY-UNI-1fd04853-11
0.385
TAM-UNI-c140e31a-17
0.385
TAM-UNI-c140e31a-18
0.385
ANT-DIA-3c79be55-1
0.385
ASH-UNK-40b46b30-14
0.383
MAR-TRE-3159af1a-84
0.381
MAK-UNK-de8f6d00-5
0.380
MAR-TRE-dab8f6ea-24
0.374
MAR-TRE-3159af1a-33
0.374
DAR-DIA-23aa0b97-1
0.372
TRY-UNI-1fd04853-12
0.372
MAK-UNK-10572812-8
0.372
MAK-UNK-10572812-13
0.372
TRY-UNI-1fd04853-5
0.370
MAK-UNK-10572812-2
0.368
TRY-UNI-1fd04853-9
0.366
MAR-TRE-3159af1a-75
0.365
MAK-UNK-10572812-1
0.365
MAK-UNK-10572812-10
0.365
MAK-UNK-10572812-7
0.364
MAK-UNK-10572812-11
0.363
MAR-TRE-3159af1a-24
0.358
RED-RED-10c9212c-49
0.358
TRY-UNI-1fd04853-6
0.358
ZAC-WAB-d55a3c2e-1
0.356
ZAC-WAB-2baeb60f-1
0.356
MAK-UNK-10572812-12
0.354
MAR-TRE-3159af1a-99
0.352
MAR-TRE-3159af1a-1
0.352
TRY-UNI-1fd04853-10
0.351
DAR-DIA-23aa0b97-2
0.351
MAR-TRE-3159af1a-21
0.346
MAR-TRE-3159af1a-44
0.346
NIC-BIO-3276ca7f-1
0.337
NIC-BIO-3276ca7f-4
0.337
ANT-DIA-3c79be55-3
0.337
JON-UNI-57097b3f-2
0.330
MAR-TRE-3159af1a-81
0.327
NIC-BIO-3276ca7f-5
0.327
NAU-LAT-81109c57-7
0.324
PET-SGC-fc67af9f-1
0.322
DOU-UNK-b5326f8f-15
0.319
ZAC-WAB-86e8bacf-1
0.318
TAM-UNI-c140e31a-9
0.316
MAR-UCB-195bc32d-10
0.315
MAR-TRE-dab8f6ea-44
0.313
SID-ELM-1f105489-9
0.312