Molecular Properties | |
SMILES: | CC1C(C(=O)O)CCCN1C(=O)Cc1c[nH]c2ncccc12 |
MW: | 301.14 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 86.29 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2155590130 |
NIC-BIO-29f4a211-1
0.575
NIC-BIO-ec630548-2
0.566
NIC-BIO-25446079-4
0.537
NIC-BIO-29f4a211-2
0.536
NIC-BIO-ec630548-1
0.536
NIC-BIO-25446079-2
0.532
NIC-BIO-ec630548-4
0.523
AAR-POS-d2a4d1df-20
0.519
MAR-TRE-3159af1a-66
0.517
NIC-BIO-ec630548-3
0.517
SAD-SAT-f25ee457-10
0.516
MAR-TRE-3159af1a-40
0.512
NIC-BIO-96ee2ca4-1
0.511
NIC-BIO-f814dd3d-1
0.500
SAD-SAT-f25ee457-5
0.500
IND-SYN-3aa4e743-1
0.500
IND-SYN-6c8299e8-5
0.500
SWA-SYN-6423ea73-10
0.494
SWA-SYN-d2e6fa14-9
0.494
MAR-TRE-3159af1a-90
0.494
NIC-BIO-96ee2ca4-2
0.480
MAR-TRE-3159af1a-2
0.479
NIC-BIO-25446079-3
0.476
MAR-TRE-3159af1a-70
0.468
GAB-FRA-261eb2a6-1
0.459
NIC-BIO-25446079-1
0.458
MAR-TRE-3159af1a-16
0.454
TAM-UNI-c140e31a-8
0.454
TAM-UNI-c140e31a-5
0.453
MAK-UNK-de8f6d00-2
0.450
ASH-UNK-40b46b30-18
0.448
MAR-TRE-3159af1a-8
0.446
MAK-UNK-de8f6d00-7
0.446
SAD-SAT-f25ee457-6
0.440
TAM-UNI-c140e31a-18
0.434
MAR-TRE-3159af1a-9
0.434
MAK-UNK-10572812-9
0.433
MAK-UNK-10572812-6
0.432
TAM-UNI-c140e31a-4
0.429
RED-RED-10c9212c-49
0.427
MAR-TRE-3159af1a-41
0.427
MAK-UNK-10572812-2
0.426
SWA-SYN-d2e6fa14-4
0.426
SWA-SYN-6423ea73-4
0.426
MAK-UNK-10572812-10
0.422
TAM-UNI-c140e31a-17
0.420
ASH-UNK-40b46b30-14
0.417
MAK-UNK-10572812-13
0.417
MAK-UNK-b1917cc8-5
0.417
MAK-UNK-de8f6d00-3
0.416
MAK-UNK-de8f6d00-8
0.416
MAR-TRE-3159af1a-33
0.414
DAR-DIA-23aa0b97-12
0.414
MAK-UNK-de8f6d00-1
0.412
MAK-UNK-10572812-12
0.411
MAR-TRE-3159af1a-76
0.411
KAL-WAB-eb347ebe-1
0.410
MAK-UNK-de8f6d00-6
0.410
MAK-UNK-10572812-7
0.407
ZAC-WAB-2baeb60f-1
0.406
ZAC-WAB-d55a3c2e-1
0.406
MAR-TRE-3159af1a-84
0.404
MAK-UNK-10572812-8
0.404
MAR-UCB-195bc32d-13
0.400
TRY-UNI-1fd04853-8
0.398
MAK-UNK-10572812-1
0.396
DAR-DIA-23aa0b97-1
0.396
TRY-UNI-1fd04853-7
0.395
MAK-UNK-10572812-11
0.394
ANT-DIA-3c79be55-1
0.393
TRY-UNI-1fd04853-5
0.393
TRY-UNI-1fd04853-9
0.389
MAK-UNK-de8f6d00-5
0.387
NAU-LAT-81109c57-7
0.382
TRY-UNI-1fd04853-6
0.380
TRY-UNI-1fd04853-11
0.378
DAR-DIA-23aa0b97-2
0.372
TRY-UNI-1fd04853-10
0.372
ANT-DIA-3c79be55-3
0.371
MAR-TRE-3159af1a-74
0.367
TRY-UNI-1fd04853-12
0.366
MAR-TRE-3159af1a-24
0.365
MAR-TRE-3159af1a-1
0.359
MAR-TRE-3159af1a-99
0.359
MAR-TRE-3159af1a-92
0.358
NIC-BIO-3276ca7f-1
0.358
MAR-TRE-3159af1a-21
0.352
MAR-TRE-3159af1a-44
0.352
MAR-UCB-195bc32d-10
0.352
PET-SGC-fc67af9f-1
0.351
ZAC-WAB-86e8bacf-1
0.350
DOU-UNK-b5326f8f-15
0.348
MAR-TRE-3159af1a-75
0.346
TAM-UNI-c140e31a-9
0.345
NIC-BIO-3276ca7f-4
0.344
DOU-UNK-b5326f8f-17
0.342
JON-UNI-57097b3f-2
0.337
MAR-TRE-3159af1a-58
0.337
COM-UCB-1ef4e90e-19
0.337
SID-ELM-1f105489-9
0.333