Molecular Properties | |
SMILES: | COc1cc2c(CCNC(C)=O)c[nH]c2cc1O |
MW: | 248.282 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 74.35 |
cLogP: | 1.5607 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7431346677 |
MolPort: | MolPort-046-683-521 |
AAR-POS-d2a4d1df-2
WIL-LEE-364b6ea8-13
0.618
JOH-MSK-a63bdd1d-2
0.618
MAR-UCB-195bc32d-21
0.561
JOH-MSK-35a8745a-1
0.561
ALE-ACE-2610ee4d-1
0.561
MAR-UCB-195bc32d-16
0.515
JOH-MSK-a63bdd1d-4
0.515
SAN-PRS-3c4a6997-1
0.485
AAR-POS-d2a4d1df-2
0.485
JOH-MSK-a63bdd1d-5
0.479
JOH-MEM-5e386bbd-8
0.479
SAN-PRS-3c4a6997-2
0.470
MAT-GIT-deadff56-1
0.465
JOH-MEM-4bb7e4cc-1
0.465
DUN-NEW-f8ce3686-12
0.465
JOH-MSK-a63bdd1d-6
0.398
MAR-TRE-c317dd82-56
0.398
MAK-UNK-be5ffcbc-9
0.392
GAB-REV-4a4e2ff3-8
0.384
NAU-LAT-81109c57-5
0.372
MAR-TRE-be9ff7d2-73
0.369
NAU-LAT-81109c57-1
0.367
WIL-LEE-1f71e281-6
0.362
GAB-REV-4a4e2ff3-6
0.360
TAM-UNI-c140e31a-15
0.358
SAM-UNK-903735bd-2
0.358
ELE-IMP-dfb36048-1
0.358
SIM-DEM-265738e1-1
0.358
PET-SGC-f818f65b-1
0.358
MAK-UNK-be5ffcbc-2
0.357
JOH-MSK-ec639444-3
0.356
JOH-MSK-ec639444-1
0.354
ROB-UNI-b2e39629-6
0.354
GAB-REV-4a4e2ff3-2
0.354
DAR-DIA-fb20be43-14
0.352
MAK-UNK-be5ffcbc-8
0.351
JOK-SYG-b7365cd7-1
0.349
MAK-UNK-10572812-13
0.346
HAN-NEW-5f56c3bc-2
0.346
MAK-UNK-be5ffcbc-6
0.345
JOH-MEM-5e386bbd-6
0.342
BEN-DND-362d364a-8
0.341
ROB-UNI-b2e39629-4
0.341
ROB-UNI-b2e39629-7
0.341
MAR-TRE-4f781e27-82
0.341
MAR-UNI-9ca61fdc-1
0.338
MAK-UNK-be5ffcbc-4
0.337
NIR-THE-0d6461ce-3
0.337
DAR-DIA-fb20be43-11
0.333
NAU-LAT-f723e322-1
0.333
JOK-SYG-302da050-1
0.333
NAU-LAT-81109c57-6
0.333
ASH-UNK-40b46b30-5
0.333
MAK-UNK-be5ffcbc-5
0.333
MAR-UCB-195bc32d-20
0.333
MAK-UNK-ec98eaf6-33
0.333
SAM-UNK-903735bd-1
0.333
CAL-AMP-9edebd8f-1
0.333
ELE-IMP-dfb36048-2
0.333
DUN-NEW-f8ce3686-10
0.333
DUN-NEW-f8ce3686-21
0.333
GAB-REV-4a4e2ff3-3
0.333
STU-CHA-bc0a9883-1
0.333
GAB-REV-4a4e2ff3-19
0.330
JOK-SYG-b9f02a42-3
0.326
NIR-THE-0d6461ce-2
0.326
GAB-REV-4a4e2ff3-14
0.326
MAR-TRE-e82e6c98-51
0.326
MAT-GIT-deadff56-2
0.325
NAU-LAT-30527ac5-6
0.323
TAM-UNI-c140e31a-2
0.322
NIC-BIO-3276ca7f-3
0.322
MAK-UNK-be5ffcbc-3
0.322
NAU-LAT-81109c57-3
0.322
NAU-LAT-81109c57-8
0.321
MAK-UNK-ec98eaf6-34
0.320
JOH-MEM-5e386bbd-3
0.319
GAB-REV-4a4e2ff3-15
0.319
JOH-CHE-3504ac3d-2
0.319
DAR-DIA-fb20be43-15
0.319
LON-WEI-af038623-6
0.318
JAR-IMP-ed466bb3-19
0.317
NAU-LAT-f723e322-2
0.315
GAB-REV-4a4e2ff3-9
0.313
SIM-DEM-5935bd74-3
0.312
GAB-REV-4a4e2ff3-21
0.311
JOH-MSK-d60b0211-1
0.311
PAT-UNK-b2d83456-5
0.311
PAT-UNK-b2d83456-4
0.310
ASH-UNK-40b46b30-7
0.309
JOK-SYG-b9f02a42-1
0.309
DAR-DIA-caba39e3-4
0.308
NAU-LAT-81109c57-7
0.306
MAR-TRE-92684b97-67
0.306
DUN-NEW-f8ce3686-24
0.304
DUN-NEW-f8ce3686-11
0.303
JOK-SYG-b9f02a42-2
0.302
GAB-REV-4a4e2ff3-5
0.299
PET-SGC-1c3a473d-1
0.299
GAB-REV-4a4e2ff3-20
0.297