Molecular Properties | |
SMILES: | COc1ccc2cccc(CCNC(C)=O)c2c1 |
MW: | 243.306 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 38.33 |
cLogP: | 2.527 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3838308303 |
MolPort: | MolPort-006-170-152 |
AAR-POS-d2a4d1df-2
SIM-DEM-5935bd74-3
0.493
ALE-ACE-2610ee4d-1
0.485
MAR-UCB-195bc32d-21
0.485
JOH-MSK-35a8745a-1
0.485
BAR-COM-0f94fc3d-39
0.461
MAR-UCB-195bc32d-20
0.414
JOH-MEM-5e386bbd-3
0.384
JOH-MSK-a63bdd1d-5
0.373
CHA-MCP-85291e1d-3
0.372
JOH-MSK-a63bdd1d-1
0.356
ELE-IMP-dfb36048-2
0.355
CAL-AMP-9edebd8f-1
0.355
DUN-NEW-f8ce3686-10
0.355
JOH-MEM-5e386bbd-8
0.351
ANT-OPE-81f9835f-1
0.343
PET-UNK-8df914d1-1
0.341
EDJ-MED-00c1612e-1
0.341
MAR-TRE-e86a56b5-83
0.338
JOH-MSK-a63bdd1d-4
0.338
MAR-UCB-195bc32d-16
0.338
DUN-NEW-f8ce3686-21
0.338
SAN-PRS-3c4a6997-2
0.333
JOH-MSK-a63bdd1d-2
0.329
WIL-LEE-364b6ea8-13
0.329
SAN-PRS-3c4a6997-3
0.329
AAR-UNI-c25c2f1e-99
0.325
PET-SGC-708ec5d8-1
0.325
ANT-DIA-b7f58f21-4
0.322
JOH-MEM-5e386bbd-2
0.320
GAB-REV-4a4e2ff3-6
0.318
SIM-DEM-5935bd74-4
0.315
SAN-PRS-3c4a6997-1
0.315
AAR-POS-d2a4d1df-2
0.315
ROB-UNI-b2e39629-9
0.313
PAT-UNK-b2d83456-4
0.313
DAR-DIA-fb20be43-14
0.311
MAR-TRE-be9ff7d2-73
0.310
ROB-UNI-b2e39629-10
0.310
DAR-DIA-8e329c92-9
0.310
MAR-UNI-9ca61fdc-1
0.307
MAK-UNK-be5ffcbc-9
0.307
DUN-NEW-f8ce3686-11
0.306
MAR-TRE-e86a56b5-64
0.303
JOH-MEM-4bb7e4cc-1
0.303
JOH-MEM-5e386bbd-1
0.303
DUN-NEW-f8ce3686-12
0.303
MAT-GIT-deadff56-1
0.303
CHA-MCP-85291e1d-7
0.300
DAR-DIA-caba39e3-4
0.297
JOH-MSK-a63bdd1d-6
0.297
GAB-REV-4a4e2ff3-7
0.296
GAB-REV-4a4e2ff3-8
0.295
LON-WEI-5e7d1b3e-48
0.295
LON-WEI-4d77710c-48
0.295
TAM-UNI-d1c3dd9f-24
0.293
JAN-GHE-6413aaf8-5
0.292
DUN-NEW-f8ce3686-24
0.292
MAT-POS-c20a539d-1
0.291
PET-SGC-85e821e4-2
0.289
SIM-DEM-5935bd74-1
0.289
WIL-LEE-23e8b574-3
0.289
EDJ-MED-c8e7a002-2
0.289
GAB-REV-4a4e2ff3-9
0.289
DUN-NEW-f8ce3686-13
0.287
MAT-POS-b5746674-65
0.286
MAR-TRE-9c797165-63
0.286
TAM-UNI-d1c3dd9f-23
0.286
TAM-UNI-d1c3dd9f-20
0.284
NAU-LAT-81109c57-5
0.284
TAM-UNI-c140e31a-16
0.284
ALV-UNI-7ff1a6f9-47
0.284
CHA-MCP-85291e1d-1
0.284
HAN-NEW-5f56c3bc-2
0.284
MAT-POS-4e253971-3
0.284
ASH-UNK-40b46b30-7
0.283
MAT-POS-0c8fa4a7-2
0.282
GAB-REV-4a4e2ff3-14
0.282
NAU-LAT-81109c57-3
0.281
PET-SGC-f818f65b-1
0.280
BEN-DND-362d364a-8
0.280
SIM-DEM-265738e1-1
0.280
TAM-UNI-c140e31a-15
0.280
ROB-UNI-b2e39629-4
0.280
ELE-IMP-dfb36048-1
0.280
SAM-UNK-903735bd-2
0.280
GAB-REV-4a4e2ff3-15
0.280
EVA-UNK-a6bd3264-1
0.279
MAR-LAB-ca4662a6-6
0.278
WIL-LEE-23e8b574-2
0.278
MAT-POS-162a9720-11
0.277
JOH-MEM-5e386bbd-4
0.276
ROB-UNI-b2e39629-6
0.275
DUN-NEW-f8ce3686-8
0.275
RAL-THA-2d450e86-11
0.274
MAK-UNK-ec98eaf6-47
0.274
DAR-DIA-caba39e3-11
0.272
MED-COV-4280ac29-21
0.271
MAT-POS-b5746674-58
0.271
MAK-UNK-be5ffcbc-6
0.271
AMD-UAU-3d234461-1
0.270