Molecular Properties | |
SMILES: | CC(=O)NCCCC1Cc2c(ccc(O)c2O)C(CN)O1 |
MW: | 294.351 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 104.81 |
cLogP: | 0.9552 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Aliphatic long chain
catechol
Long aliphatic chain
catechol_A(92)
AAR-POS-d2a4d1df-30
MAK-UNK-01147c51-14
0.686
MAK-UNK-c7aa8293-11
0.638
MAK-UNK-c7aa8293-6
0.631
MAK-UNK-01147c51-2
0.573
MAK-UNK-c7aa8293-15
0.481
MAK-UNK-01147c51-8
0.461
MAK-UNK-01147c51-4
0.425
MAK-UNK-2084232d-9
0.418
MAK-UNK-198e6d85-15
0.418
MAK-UNK-2084232d-6
0.410
MAK-UNK-198e6d85-13
0.410
MAK-UNK-60abb798-8
0.410
MAK-UNK-c7aa8293-3
0.407
MAK-UNK-2084232d-4
0.407
MAK-UNK-2084232d-1
0.402
MAK-UNK-198e6d85-5
0.400
MAK-UNK-2084232d-3
0.400
MAK-UNK-01147c51-1
0.400
MAK-UNK-198e6d85-12
0.400
MAK-UNK-2084232d-10
0.400
MAK-UNK-2084232d-24
0.400
MAK-UNK-c7aa8293-8
0.400
MAK-UNK-60abb798-6
0.400
MAK-UNK-c7aa8293-16
0.400
MAK-UNK-01147c51-6
0.400
MAK-UNK-c7aa8293-7
0.398
MAK-UNK-60abb798-3
0.398
MAK-UNK-01147c51-16
0.398
MAK-UNK-60abb798-2
0.398
MAK-UNK-c7aa8293-17
0.398
MAK-UNK-198e6d85-3
0.395
MAK-UNK-c7aa8293-10
0.395
MAK-UNK-c7aa8293-9
0.393
MAK-UNK-2084232d-15
0.393
MAK-UNK-2084232d-17
0.393
MAK-UNK-60abb798-4
0.393
MAK-UNK-2084232d-21
0.390
MAK-UNK-2084232d-8
0.390
MAK-UNK-198e6d85-11
0.390
MAK-UNK-198e6d85-14
0.390
MAK-UNK-2084232d-5
0.390
MAK-UNK-60abb798-1
0.390
MAK-UNK-198e6d85-7
0.390
MAK-UNK-198e6d85-16
0.390
MAK-UNK-2084232d-25
0.390
MAK-UNK-2084232d-22
0.390
MAK-UNK-198e6d85-2
0.388
MAK-UNK-2084232d-20
0.388
MAK-UNK-01147c51-7
0.384
MAK-UNK-198e6d85-1
0.376
MAK-UNK-2084232d-12
0.376
MAK-UNK-2084232d-16
0.376
MAK-UNK-198e6d85-9
0.376
MAK-UNK-2084232d-13
0.376
MAK-UNK-01147c51-15
0.375
MAK-UNK-2084232d-23
0.375
MAK-UNK-198e6d85-10
0.375
MAK-UNK-60abb798-10
0.375
MAK-UNK-01147c51-3
0.374
MAK-UNK-60abb798-7
0.374
MAK-UNK-2084232d-19
0.374
MAK-UNK-c7aa8293-14
0.374
MAK-UNK-01147c51-5
0.374
MAK-UNK-c7aa8293-12
0.374
MAK-UNK-2084232d-2
0.374
MAK-UNK-60abb798-11
0.374
MAK-UNK-c7aa8293-13
0.374
MAK-UNK-2084232d-11
0.372
MAK-UNK-198e6d85-6
0.371
MAK-UNK-60abb798-5
0.371
MAK-UNK-c7aa8293-4
0.333
MAK-UNK-198e6d85-4
0.312
MAK-UNK-c7aa8293-5
0.311
MAK-UNK-2084232d-7
0.308
ANT-OPE-997bdc93-1
0.233
ANT-OPE-6a16a9ad-2
0.220
MAR-TRE-67513f76-14
0.217
MAR-TRE-e86a56b5-58
0.215
MAR-TRE-799db12b-20
0.215
SIM-DEM-5935bd74-4
0.213
NIM-UNI-ed9fc491-1
0.212
JOH-MSK-ec639444-4
0.211
MAR-TRE-fffca54f-67
0.211
SIM-DEM-5935bd74-8
0.209
MAK-UNK-176ca439-1
0.209
WJF-WAB-5e8b96ca-1
0.208
MIC-UNK-ea979c74-3
0.205
ANT-DIA-b7f58f21-4
0.200
DAV-IMP-59dd6621-26
0.200
ANT-OPE-7c194559-1
0.200
PET-UNK-b87f07d0-1
0.200
MIC-UNK-ea979c74-2
0.198
JAN-GHE-6413aaf8-5
0.198
PAT-UNK-b2d83456-4
0.198
SAM-UNI-7fd13e32-1
0.198
WIL-LEE-23e8b574-3
0.196
MAR-TRE-e86a56b5-34
0.195
WIL-LEE-23e8b574-2
0.195
SAN-PRS-3c4a6997-2
0.195
NAU-LAT-0543f7f2-10
0.195