Molecular Properties | |
SMILES: | O=C(O)CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O |
MW: | 290.09 |
Fraction sp3: | 0.21 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 119.49 |
cLogP: | 0.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8181487740 |
MolPort: | MolPort-003-930-697 |
too many COOH groups (>1)
Long aliphatic chain
MAR-UCB-195bc32d-22
0.590
CUN-WAB-25b584ee-2
0.556
MAR-TRE-36bf7dba-27
0.494
MAR-TRE-36bf7dba-26
0.459
SAN-PRS-3c4a6997-2
0.455
MAR-TRE-f5c2d31c-47
0.452
MAR-TRE-36bf7dba-21
0.438
MAR-TRE-85681e92-68
0.423
NIC-BIO-3276ca7f-7
0.423
MAR-TRE-85681e92-53
0.412
NIC-BIO-3276ca7f-2
0.400
MAR-UCB-195bc32d-18
0.394
YIA-UNI-71f25a82-2
0.394
ALP-POS-a3de0cb1-15
0.393
MAR-TRE-85681e92-69
0.393
JOH-MSK-a63bdd1d-10
0.385
MAR-TRE-4f39ef4a-5
0.383
YIA-UNI-71f25a82-1
0.380
MAR-TRE-85681e92-33
0.380
CUN-WAB-25b584ee-1
0.378
SAL-INS-68b48d12-7
0.378
MAR-TRE-4f781e27-69
0.373
ANT-OPE-ab37bd51-2
0.372
MAR-TRE-4f781e27-6
0.369
SAL-INS-68b48d12-9
0.361
MAR-TRE-74c6519b-79
0.360
MAR-TRE-fd17a9b8-18
0.348
MAR-TRE-fd17a9b8-35
0.345
ABI-SAT-30e287c1-2
0.342
MAR-TRE-fd17a9b8-10
0.341
ALP-POS-8ed8d9ec-2
0.341
ALP-POS-8ed8d9ec-6
0.340
LON-WEI-5e7d1b3e-20
0.340
LON-WEI-4d77710c-20
0.340
NJA-MAN-b9fb953f-5
0.340
SAL-INS-68b48d12-5
0.340
MAR-TRE-4f39ef4a-9
0.337
SUN-WAB-e274cdaf-1
0.337
MAR-TRE-b77b7921-67
0.337
MAR-TRE-3159af1a-9
0.329
JIN-POS-6dc588a4-5
0.325
MAT-POS-ea426761-94
0.319
SAL-INS-68b48d12-8
0.317
NIM-UNI-310206f0-31
0.317
NIM-UNI-310206f0-49
0.317
SAL-INS-68b48d12-10
0.313
GAB-REV-df64cf17-18
0.310
LON-WEI-1908424e-9
0.307
MAR-TRE-85681e92-45
0.306
MAR-TRE-8190bb11-25
0.305
IAN-BAS-8ad3d156-1
0.303
MAR-TRE-85681e92-38
0.302
SAL-INS-68b48d12-6
0.302
BRU-UNI-248b30bc-12
0.300
MAR-TRE-85681e92-20
0.295
MAR-TRE-be9ff7d2-10
0.295
MAR-UCB-195bc32d-4
0.293
MAR-TRE-4f781e27-96
0.293
MAR-TRE-f6f5f473-6
0.291
MAR-TRE-85681e92-60
0.287
JOH-MSK-a63bdd1d-4
0.286
MAR-UCB-195bc32d-16
0.286
ANT-OPE-ab37bd51-1
0.284
MAR-TRE-fd17a9b8-1
0.283
SAN-PRS-3c4a6997-1
0.282
BRU-UNI-248b30bc-8
0.276
MAR-TRE-74c6519b-68
0.276
JOH-MSK-35a8745a-1
0.275
MAR-UCB-195bc32d-21
0.275
ALE-ACE-2610ee4d-1
0.275
GAB-REV-70cc3ca5-17
0.273
MAR-TRE-85681e92-64
0.273
JOH-MEM-4bb7e4cc-1
0.272
DUN-NEW-f8ce3686-12
0.272
MAT-GIT-deadff56-1
0.272
MAK-UNK-be5ffcbc-8
0.272
MAR-TRE-fd17a9b8-25
0.271
TAT-ENA-80bfd3e5-16
0.271
MAR-TRE-92684b97-53
0.271
MAR-TRE-66ac689e-52
0.270
MAR-UCB-195bc32d-45
0.270
JOH-MEM-5e386bbd-7
0.268
MAR-TRE-a78003aa-12
0.267
AAR-POS-d2a4d1df-2
0.266
SCO-VAN-260d9628-5
0.266
MAR-TRE-9d18ae8c-91
0.264
MAR-TRE-4f781e27-94
0.264
NAU-LAT-30527ac5-6
0.262
NAU-LAT-81109c57-8
0.262
NIC-BIO-b40446ce-2
0.260
MAR-TRE-fd17a9b8-41
0.260
JOH-MSK-a63bdd1d-5
0.259
MAR-TRE-36bf7dba-75
0.256
MAR-TRE-fd17a9b8-29
0.256
ROB-UNI-daaf9793-1
0.253
MAT-POS-e1b5ac6b-1
0.253
MAR-TRE-be9ff7d2-9
0.253
ALP-POS-a3de0cb1-14
0.253
NAU-LAT-30527ac5-3
0.250
MAR-TRE-85681e92-57
0.250