Molecular Properties | |
SMILES: | CCC(C(=O)Cc1c[nH]c2ncccc12)C(O)N(C)C |
MW: | 275.16 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 69.22 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_acetal
het-C-het not in ring
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
AAR-POS-d2a4d1df-20
RED-RED-10c9212c-49
0.506
MAR-TRE-3159af1a-9
0.500
NIC-BIO-25446079-4
0.474
AAR-POS-d2a4d1df-20
0.473
MAR-TRE-3159af1a-8
0.473
TRY-UNI-1fd04853-7
0.473
KAL-WAB-eb347ebe-1
0.472
MAR-UCB-195bc32d-13
0.464
ZAC-WAB-d55a3c2e-1
0.459
ZAC-WAB-2baeb60f-1
0.459
TRY-UNI-1fd04853-8
0.455
MAR-TRE-3159af1a-33
0.455
IND-SYN-6c8299e8-5
0.453
IND-SYN-3aa4e743-1
0.453
TRY-UNI-1fd04853-12
0.450
TRY-UNI-1fd04853-6
0.450
NIC-BIO-25446079-3
0.449
TRY-UNI-1fd04853-5
0.449
TRY-UNI-1fd04853-11
0.449
NIC-BIO-25446079-1
0.447
NIC-BIO-25446079-2
0.447
TRY-UNI-1fd04853-9
0.443
NIC-BIO-29f4a211-2
0.439
NIC-BIO-ec630548-1
0.439
SAD-SAT-f25ee457-5
0.438
NIC-BIO-29f4a211-1
0.438
DAR-DIA-23aa0b97-12
0.436
MAR-TRE-3159af1a-40
0.434
MAR-TRE-3159af1a-76
0.432
ANT-DIA-3c79be55-1
0.430
NAU-LAT-81109c57-7
0.429
MAR-TRE-3159af1a-66
0.424
NIC-BIO-ec630548-3
0.424
TRY-UNI-1fd04853-10
0.422
ANT-DIA-3c79be55-3
0.419
NIC-BIO-ec630548-2
0.417
MAR-TRE-3159af1a-37
0.417
DAR-DIA-23aa0b97-1
0.415
MAR-TRE-3159af1a-41
0.415
NIC-BIO-ec630548-4
0.412
DAR-DIA-23aa0b97-2
0.405
NIC-BIO-96ee2ca4-1
0.404
MAR-TRE-3159af1a-90
0.400
NIC-BIO-f814dd3d-1
0.396
SHR-UNK-cde60afe-1
0.392
ASH-UNK-40b46b30-18
0.391
MAR-TRE-3159af1a-84
0.391
JOH-IMS-62aeb97d-2
0.389
NIC-BIO-3276ca7f-1
0.388
NIC-BIO-3276ca7f-4
0.388
SWA-SYN-d2e6fa14-9
0.386
SWA-SYN-6423ea73-10
0.386
SWA-SYN-6423ea73-4
0.382
SWA-SYN-d2e6fa14-4
0.382
NIC-BIO-96ee2ca4-2
0.381
SAD-SAT-f25ee457-10
0.380
MAR-TRE-3159af1a-2
0.376
ZAC-WAB-86e8bacf-1
0.376
NIC-BIO-3276ca7f-5
0.375
GAB-FRA-261eb2a6-1
0.375
MAK-UNK-10572812-12
0.373
SAD-SAT-f25ee457-6
0.371
JON-UNI-57097b3f-2
0.368
TAM-UNI-c140e31a-8
0.368
MAR-UCB-195bc32d-10
0.367
TAM-UNI-c140e31a-5
0.366
MAR-TRE-3159af1a-70
0.366
MAK-UNK-10572812-13
0.365
MAR-TRE-3159af1a-24
0.365
TAM-UNI-c140e31a-17
0.365
NIC-BIO-3276ca7f-6
0.363
MAK-UNK-10572812-2
0.362
MAK-UNK-de8f6d00-3
0.361
MAK-UNK-de8f6d00-8
0.361
MAK-UNK-10572812-10
0.358
TAM-UNI-c140e31a-4
0.358
MAK-UNK-10572812-11
0.356
MAR-TRE-3159af1a-16
0.354
MAK-UNK-de8f6d00-2
0.354
TAM-UNI-c140e31a-18
0.351
ASH-UNK-40b46b30-14
0.350
MAK-UNK-10572812-1
0.346
MAK-UNK-de8f6d00-1
0.343
BEN-BAS-bb561ced-1
0.340
MAK-UNK-de8f6d00-7
0.337
MAK-UNK-de8f6d00-5
0.333
MAK-UNK-de8f6d00-6
0.330
MAR-TRE-3159af1a-99
0.330
MAK-UNK-10572812-8
0.327
MAK-UNK-10572812-9
0.327
PET-SGC-fc67af9f-1
0.324
TAM-UNI-c140e31a-9
0.317
MAR-TRE-3159af1a-58
0.317
MAR-TRE-3159af1a-75
0.316
MAR-TRE-3159af1a-1
0.316
NIC-BIO-5044b423-1
0.314
SID-ELM-1f105489-9
0.313
MAR-TRE-3159af1a-44
0.310
MAR-TRE-3159af1a-21
0.310
MAK-UNK-10572812-6
0.310