Molecular Properties | |
SMILES: | COc1c(O)cc2[nH]cc(CCNC(C)=O)c2c1O |
MW: | 264.281 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 94.58 |
cLogP: | 1.2663 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
JOH-MSK-a63bdd1d-1
0.479
JOH-MSK-35a8745a-1
0.425
ALE-ACE-2610ee4d-1
0.425
MAR-UCB-195bc32d-21
0.425
WIL-LEE-364b6ea8-13
0.405
JOH-MSK-a63bdd1d-2
0.405
JOH-MSK-a63bdd1d-4
0.403
MAR-UCB-195bc32d-16
0.403
SAN-PRS-3c4a6997-2
0.400
SAN-PRS-3c4a6997-1
0.397
MAT-GIT-deadff56-2
0.390
AAR-POS-d2a4d1df-2
0.378
MAT-GIT-deadff56-1
0.364
DUN-NEW-f8ce3686-12
0.364
JOH-MEM-4bb7e4cc-1
0.364
JOH-MSK-a63bdd1d-5
0.362
JOH-MSK-ec639444-3
0.351
MAK-UNK-be5ffcbc-9
0.333
GAB-REV-4a4e2ff3-8
0.333
GAB-REV-4a4e2ff3-6
0.326
SAM-UNK-903735bd-2
0.321
TAM-UNI-c140e31a-15
0.321
PET-SGC-f818f65b-1
0.321
ELE-IMP-dfb36048-1
0.321
SIM-DEM-265738e1-1
0.321
JOH-MSK-a63bdd1d-6
0.319
NIR-THE-0d6461ce-3
0.319
DAR-DIA-fb20be43-14
0.319
ROB-UNI-b2e39629-6
0.317
MAR-TRE-c317dd82-56
0.315
MAR-UCB-195bc32d-20
0.312
MAK-UNK-be5ffcbc-6
0.310
HAN-NEW-5f56c3bc-2
0.310
WIL-LEE-1f71e281-6
0.310
NAU-LAT-81109c57-5
0.308
ROB-UNI-b2e39629-4
0.306
ROB-UNI-b2e39629-7
0.306
BEN-DND-362d364a-8
0.306
JOH-MSK-ec639444-1
0.301
NAU-LAT-81109c57-6
0.301
MAK-UNK-be5ffcbc-5
0.301
MAT-GIT-deadff56-3
0.301
ASH-UNK-40b46b30-5
0.300
JOK-SYG-b7365cd7-1
0.299
ELE-IMP-dfb36048-2
0.298
DUN-NEW-f8ce3686-10
0.298
DUN-NEW-f8ce3686-21
0.298
CAL-AMP-9edebd8f-1
0.298
GAB-REV-4a4e2ff3-9
0.297
JOK-SYG-b9f02a42-3
0.296
GAB-REV-4a4e2ff3-21
0.293
SIM-DEM-5935bd74-3
0.293
MAK-UNK-be5ffcbc-2
0.292
GAB-REV-4a4e2ff3-14
0.292
GAB-REV-4a4e2ff3-7
0.291
NAU-LAT-81109c57-3
0.290
TAM-UNI-c140e31a-2
0.290
MAK-UNK-be5ffcbc-4
0.289
JOH-MEM-5e386bbd-3
0.289
JOH-CHE-3504ac3d-2
0.287
DAR-DIA-fb20be43-15
0.287
STU-CHA-bc0a9883-1
0.287
DAR-DIA-fb20be43-11
0.287
JOK-SYG-302da050-1
0.287
NAU-LAT-f723e322-1
0.287
SAM-UNK-903735bd-1
0.286
JOK-SYG-b9f02a42-2
0.286
LON-WEI-af038623-6
0.286
MAK-UNK-10572812-11
0.284
GAB-REV-4a4e2ff3-2
0.284
GAB-REV-4a4e2ff3-5
0.283
DAR-DIA-caba39e3-4
0.280
PAT-UNK-b2d83456-5
0.280
JOH-MSK-d60b0211-1
0.280
ASH-UNK-40b46b30-7
0.278
JOK-SYG-b9f02a42-1
0.278
PAT-UNK-b2d83456-4
0.278
MAK-UNK-ec98eaf6-34
0.277
NIC-BIO-3276ca7f-3
0.277
GAB-REV-4a4e2ff3-15
0.276
MAK-UNK-ec98eaf6-33
0.276
GAB-REV-4a4e2ff3-3
0.276
SAN-PRS-3c4a6997-5
0.275
MAR-TRE-be9ff7d2-73
0.275
DUN-NEW-f8ce3686-24
0.274
GAB-REV-4a4e2ff3-13
0.273
GAB-REV-4a4e2ff3-19
0.273
DUN-NEW-f8ce3686-11
0.272
SAN-PRS-3c4a6997-3
0.272
NAU-LAT-f723e322-2
0.271
PET-SGC-1c3a473d-1
0.270
NAU-LAT-30527ac5-6
0.269
NIR-THE-0d6461ce-2
0.268
NAU-LAT-81109c57-1
0.267
JAR-IMP-ed466bb3-19
0.266
MAR-TRE-799db12b-12
0.266
TAM-UNI-c140e31a-16
0.266
ANT-OPE-81f9835f-1
0.266
GAB-REV-4a4e2ff3-17
0.264
SAM-UNI-7fd13e32-1
0.264