Molecular Properties | |
SMILES: | CC(=O)OCC1CN(C)CCN1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 330.388 |
Fraction sp3: | 0.47 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.53 |
cLogP: | 0.8111 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
AAR-POS-d2a4d1df-20
NIC-BIO-96ee2ca4-2
0.756
NIC-BIO-29f4a211-2
0.753
NIC-BIO-ec630548-1
0.753
NIC-BIO-f814dd3d-1
0.694
NIC-BIO-ec630548-4
0.651
NIC-BIO-29f4a211-1
0.650
NIC-BIO-ec630548-2
0.639
GAB-FRA-261eb2a6-1
0.637
NIC-BIO-ec630548-3
0.624
SAD-SAT-f25ee457-10
0.565
AAR-POS-d2a4d1df-20
0.537
NIC-BIO-25446079-2
0.530
MAR-TRE-3159af1a-66
0.516
MAR-TRE-3159af1a-37
0.511
NIC-BIO-25446079-4
0.500
IND-SYN-6c8299e8-5
0.482
IND-SYN-3aa4e743-1
0.482
MAK-UNK-10572812-6
0.473
SAD-SAT-f25ee457-5
0.467
ASH-UNK-40b46b30-18
0.465
MAR-TRE-3159af1a-2
0.465
SWA-SYN-6423ea73-10
0.463
SWA-SYN-d2e6fa14-9
0.463
MAR-TRE-3159af1a-40
0.462
MAR-TRE-3159af1a-90
0.462
NIC-BIO-25446079-3
0.461
MAR-TRE-3159af1a-70
0.440
TAM-UNI-c140e31a-5
0.426
ASH-UNK-40b46b30-14
0.421
TAM-UNI-c140e31a-4
0.417
SAD-SAT-f25ee457-6
0.415
NIC-BIO-25446079-1
0.411
TAM-UNI-c140e31a-18
0.410
TAM-UNI-c140e31a-17
0.410
MAK-UNK-b1917cc8-5
0.404
MAR-TRE-3159af1a-16
0.400
SWA-SYN-6423ea73-4
0.400
SWA-SYN-d2e6fa14-4
0.400
TAM-UNI-c140e31a-8
0.400
MAK-UNK-10572812-12
0.389
MAR-TRE-3159af1a-9
0.389
MAR-UCB-195bc32d-13
0.388
NIC-BIO-2722da07-1
0.388
TRY-UNI-1fd04853-8
0.387
MAR-TRE-3159af1a-33
0.387
MAR-TRE-3159af1a-8
0.385
ANT-DIA-3c79be55-1
0.383
MAK-UNK-10572812-13
0.383
KAL-WAB-eb347ebe-1
0.382
MAK-UNK-10572812-2
0.379
MAK-UNK-de8f6d00-1
0.376
MAK-UNK-10572812-10
0.376
MAK-UNK-10572812-7
0.375
MAK-UNK-10572812-11
0.374
MAK-UNK-de8f6d00-2
0.373
DAR-DIA-23aa0b97-12
0.372
MAK-UNK-10572812-9
0.372
TRY-UNI-1fd04853-12
0.371
TRY-UNI-1fd04853-7
0.370
SID-ELM-1f105489-9
0.370
ZAC-WAB-d55a3c2e-1
0.369
ZAC-WAB-2baeb60f-1
0.369
MAK-UNK-de8f6d00-8
0.367
MAK-UNK-de8f6d00-3
0.367
MAR-TRE-3159af1a-84
0.366
MAK-UNK-de8f6d00-5
0.366
MAK-UNK-10572812-1
0.364
DAR-DIA-23aa0b97-2
0.364
NIC-BIO-3276ca7f-1
0.364
MAK-UNK-de8f6d00-6
0.363
MAK-UNK-10572812-8
0.359
MAR-TRE-3159af1a-41
0.357
DAR-DIA-23aa0b97-1
0.357
TRY-UNI-1fd04853-6
0.357
RED-RED-10c9212c-49
0.357
MAR-TRE-3159af1a-76
0.357
MAK-UNK-de8f6d00-7
0.357
PET-SGC-fc67af9f-1
0.357
TRY-UNI-1fd04853-5
0.354
TRY-UNI-1fd04853-11
0.354
TRY-UNI-1fd04853-9
0.351
TRY-UNI-1fd04853-10
0.350
ANT-DIA-3c79be55-3
0.350
NAU-LAT-81109c57-7
0.349
NIC-BIO-5044b423-1
0.340
MAR-TRE-3159af1a-99
0.339
MAR-TRE-3159af1a-75
0.339
NIC-BIO-3276ca7f-4
0.337
MAR-TRE-3159af1a-24
0.333
DOU-UNK-b5326f8f-15
0.331
MAR-TRE-3159af1a-1
0.327
NIC-BIO-3276ca7f-5
0.327
SID-ELM-1f105489-1
0.326
NIC-BIO-174c9b04-2
0.323
SHR-UNK-cde60afe-1
0.322
MAR-TRE-3159af1a-21
0.321
MAR-TRE-3159af1a-44
0.321
NIC-BIO-174c9b04-1
0.320
ZAC-WAB-86e8bacf-1
0.318
NIC-BIO-2722da07-2
0.318