Molecular Properties | |
SMILES: | NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O |
MW: | 220.08 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 3 |
TPSA: | 99.34 |
cLogP: | 0.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5152445613 |
MolPort: | MolPort-000-141-384 |
amino acid
MAR-UCB-195bc32d-16
0.541
JOH-MSK-a63bdd1d-4
0.541
MAR-TRE-85681e92-45
0.536
MAR-TRE-be9ff7d2-10
0.535
JOH-MEM-5e386bbd-7
0.518
MAR-TRE-4f39ef4a-31
0.507
JOH-MSK-a63bdd1d-9
0.483
MAR-UCB-195bc32d-19
0.483
MAR-TRE-85681e92-10
0.444
MAR-TRE-36bf7dba-75
0.421
MAR-UCB-195bc32d-13
0.388
MAR-TRE-e86a56b5-51
0.362
MAR-UCB-195bc32d-21
0.347
JOH-MSK-35a8745a-1
0.347
ALE-ACE-2610ee4d-1
0.347
MAR-TRE-85681e92-20
0.346
NAU-LAT-81109c57-1
0.342
SAN-PRS-3c4a6997-1
0.338
AAR-POS-d2a4d1df-2
0.338
MAR-TRE-85681e92-38
0.338
MAR-TRE-85681e92-60
0.338
MAR-TRE-4f39ef4a-34
0.329
MAR-TRE-4f39ef4a-51
0.329
ABI-SAT-30e287c1-2
0.329
MAR-TRE-e86a56b5-85
0.328
MAR-TRE-4f39ef4a-57
0.325
JOH-MSK-a63bdd1d-5
0.325
DUN-NEW-f8ce3686-12
0.324
MAT-GIT-deadff56-1
0.324
JOH-MEM-4bb7e4cc-1
0.324
MAR-TRE-4f39ef4a-26
0.321
SAN-PRS-3c4a6997-4
0.319
MAR-UCB-195bc32d-18
0.318
MAR-TRE-e86a56b5-70
0.317
MAR-TRE-e86a56b5-86
0.317
MAR-TRE-c317dd82-38
0.314
JOH-MSK-a63bdd1d-7
0.313
MAR-TRE-e86a56b5-24
0.312
YIA-UNI-71f25a82-1
0.312
NAU-LAT-81109c57-8
0.312
MAK-UNK-be5ffcbc-8
0.307
MAR-TRE-4f781e27-26
0.302
SCO-VAN-260d9628-5
0.301
MAR-TRE-e86a56b5-52
0.299
MAR-TRE-e86a56b5-88
0.297
MAR-TRE-f5c2d31c-47
0.295
MAR-TRE-c317dd82-56
0.294
MAR-UCB-195bc32d-9
0.293
MAK-UNK-be5ffcbc-7
0.291
MAR-TRE-4f39ef4a-5
0.289
NIC-BIO-3276ca7f-2
0.289
MAR-TRE-85681e92-12
0.289
ANT-OPE-47f3bb65-4
0.288
MAR-TRE-85681e92-33
0.284
MAR-TRE-be9ff7d2-73
0.282
SAN-PRS-3c4a6997-2
0.282
MAR-UCB-195bc32d-23
0.282
MAR-TRE-e86a56b5-71
0.281
MAR-TRE-92684b97-67
0.280
DAR-DIA-eace69ff-35
0.279
AMI-SHA-0ab64bbd-1
0.278
AMI-SHA-be6e1b75-1
0.278
MAR-TRE-e86a56b5-92
0.278
NIC-BIO-3276ca7f-7
0.277
MAR-UNI-9ca61fdc-1
0.276
ANT-OPE-47f3bb65-2
0.276
SAL-INS-68b48d12-7
0.275
MAR-TRE-85681e92-64
0.274
JOH-MSK-a63bdd1d-1
0.273
JOH-MSK-a63bdd1d-6
0.272
MAK-UNK-be5ffcbc-1
0.271
CUN-WAB-25b584ee-1
0.271
SAL-INS-68b48d12-9
0.270
MAK-UNK-be5ffcbc-3
0.270
MAR-TRE-e86a56b5-40
0.269
MAR-TRE-4f39ef4a-50
0.267
NAU-LAT-81109c57-2
0.267
ANT-OPE-47f3bb65-5
0.267
DAR-DIA-eace69ff-37
0.265
DAR-DIA-eace69ff-36
0.265
MAR-TRE-fd17a9b8-41
0.260
MAR-UCB-195bc32d-22
0.260
MAR-TRE-d3c2bf0e-32
0.259
FRA-LAB-04e32718-1
0.258
NAU-LAT-81109c57-4
0.258
ANT-OPE-47f3bb65-3
0.256
LON-WEI-b8d98729-34
0.256
TOM-OIS-cbf37265-2
0.256
ANT-OPE-47f3bb65-1
0.256
SAL-INS-68b48d12-5
0.255
WIL-LEE-364b6ea8-13
0.253
JOH-MSK-a63bdd1d-2
0.253
MAR-TRE-4f781e27-69
0.253
MAR-TRE-04c86cea-51
0.253
MAR-TRE-e86a56b5-99
0.250
MAR-TRE-4f39ef4a-9
0.250
YIA-UNI-71f25a82-2
0.248
MAR-TRE-85681e92-68
0.247
MAR-TRE-e86a56b5-34
0.247
MAK-UNK-10572812-3
0.245