Molecular Properties | |
SMILES: | CC(O)(CNC(=O)c1c[nH]c2ncccc12)C(=O)O |
MW: | 263.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 115.31 |
cLogP: | 0.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1715389753 |
Mcule: | MCULE-8924124339 |
MolPort: | MolPort-041-764-818 |
MAR-TRE-3159af1a-72
0.542
MAR-UCB-195bc32d-13
0.365
MAR-TRE-3159af1a-41
0.349
MAR-TRE-3159af1a-8
0.346
MAR-TRE-3159af1a-37
0.337
RED-RED-10c9212c-49
0.333
COM-UCB-1ef4e90e-19
0.333
MAR-TRE-3159af1a-9
0.333
MAR-TRE-3159af1a-74
0.333
TRY-UNI-1fd04853-7
0.329
AAR-POS-d2a4d1df-20
0.329
RED-RED-10c9212c-43
0.326
NIC-BIO-3276ca7f-1
0.326
NIC-BIO-3276ca7f-4
0.326
MAR-TRE-3159af1a-67
0.326
MAR-TRE-3159af1a-42
0.322
MAR-TRE-3159af1a-90
0.322
NIC-BIO-25446079-4
0.318
TRY-UNI-1fd04853-8
0.318
MAK-UNK-b1917cc8-5
0.317
TRY-UNI-1fd04853-5
0.314
TRY-UNI-1fd04853-11
0.314
NAU-LAT-42d4957e-5
0.314
SID-ELM-1f105489-9
0.313
IND-SYN-6c8299e8-5
0.313
IND-SYN-3aa4e743-1
0.313
MAR-TRE-3159af1a-35
0.312
TRY-UNI-1fd04853-9
0.310
MAR-TRE-3159af1a-93
0.310
NIC-BIO-25446079-1
0.310
NIC-BIO-25446079-2
0.310
TAM-UNI-c140e31a-19
0.309
KAL-WAB-eb347ebe-1
0.309
MAR-TRE-67513f76-8
0.309
MAR-TRE-3159af1a-19
0.308
MAR-TRE-3159af1a-40
0.308
NIC-BIO-ec630548-2
0.308
NIC-BIO-29f4a211-1
0.307
SAD-SAT-f25ee457-5
0.307
MAR-TRE-3159af1a-43
0.307
MAR-TRE-3159af1a-76
0.303
TRY-UNI-1fd04853-6
0.303
TRY-UNI-1fd04853-12
0.303
MAR-TRE-3159af1a-33
0.302
NIC-BIO-3276ca7f-5
0.301
NIC-BIO-25446079-3
0.299
NIC-BIO-5044b423-1
0.299
NIC-BIO-29f4a211-2
0.297
TRY-UNI-1fd04853-10
0.297
COM-UCB-8c7d23dc-8
0.297
NIC-BIO-ec630548-1
0.297
SWA-SYN-6423ea73-4
0.295
SWA-SYN-d2e6fa14-4
0.295
NIC-BIO-174c9b04-2
0.294
MAR-TRE-3159af1a-36
0.292
NIC-BIO-3276ca7f-6
0.292
NIC-BIO-174c9b04-1
0.291
NIC-BIO-ec630548-4
0.290
COM-UCB-1ef4e90e-16
0.290
MAR-TRE-3159af1a-91
0.289
MAR-TRE-3159af1a-65
0.289
DAR-DIA-23aa0b97-12
0.287
NIC-BIO-ec630548-3
0.287
MAR-TRE-3159af1a-66
0.287
MAR-TRE-3159af1a-69
0.287
NAU-LAT-81109c57-7
0.287
DUN-NEW-f8ce3686-7
0.284
SWA-SYN-6423ea73-10
0.284
SWA-SYN-d2e6fa14-9
0.284
RED-RED-10c9212c-31
0.284
ANT-DIA-3c79be55-3
0.284
ANT-DIA-3c79be55-1
0.284
JON-UNI-57097b3f-2
0.284
NIC-BIO-f814dd3d-1
0.283
MAR-TRE-3159af1a-70
0.283
GAB-FRA-261eb2a6-1
0.282
SID-ELM-433ea7f3-3
0.280
NIC-BIO-2722da07-1
0.280
MAR-TRE-3159af1a-20
0.278
ZAC-WAB-2baeb60f-1
0.278
ZAC-WAB-d55a3c2e-1
0.278
NIC-BIO-96ee2ca4-1
0.276
MAR-TRE-3159af1a-81
0.276
DAR-DIA-23aa0b97-1
0.275
DAR-DIA-23aa0b97-11
0.275
NIC-BIO-174c9b04-3
0.275
MAR-TRE-3159af1a-84
0.274
MAR-TRE-3159af1a-24
0.272
DUN-NEW-f8ce3686-6
0.272
DAR-DIA-23aa0b97-10
0.272
MAR-UCB-195bc32d-10
0.271
SAD-SAT-f25ee457-10
0.270
MAR-TRE-3159af1a-89
0.270
MAR-TRE-a78003aa-32
0.269
DAR-DIA-23aa0b97-2
0.269
MAK-UNK-de8f6d00-6
0.269
NIC-BIO-2722da07-2
0.267
MAR-TRE-3159af1a-2
0.267
ASH-UNK-40b46b30-18
0.267
MAR-TRE-3159af1a-45
0.267