Molecular Properties | |
SMILES: | CC(=O)NCCc1ccccc1 |
MW: | 163.22 |
Fraction sp3: | 0.3 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 29.1 |
cLogP: | 1.3652 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | BBV-39132223 |
Mcule: | MCULE-5686427771 |
Mcule Ultimate: | MODKMHXGCGKTLE-UHFFFAOYSA-N |
MolPort: | MolPort-001-740-085 |
ALE-UNK-fca05062-4
0.500
AAR-POS-d2a4d1df-1
0.476
ALE-UNK-fca05062-3
0.463
MAK-UNK-194150d3-12
0.436
WIL-LEE-23e8b574-2
0.434
MAK-UNK-27459e11-4
0.426
MAR-TRE-74c6519b-100
0.412
MAK-UNK-27459e11-2
0.412
MAK-UNK-27459e11-3
0.400
NEL-UNI-1464a899-4
0.392
MAK-UNK-27459e11-1
0.392
WIL-LEE-23e8b574-3
0.390
MAK-UNK-194150d3-6
0.388
LON-WEI-b2874fec-22
0.382
SAN-PRS-3c4a6997-2
0.382
SIM-DEM-5935bd74-4
0.379
MAR-TRE-0fda4e82-1
0.373
MAK-UNK-194150d3-8
0.373
MAK-UNK-194150d3-2
0.357
MAK-UNK-194150d3-13
0.357
AAR-UNI-c25c2f1e-62
0.356
CHA-MCP-85291e1d-7
0.354
CHA-MCP-85291e1d-1
0.354
MAK-UNK-194150d3-3
0.350
NAU-LAT-81109c57-5
0.347
JAN-GHE-76def03c-2
0.347
MAK-UNK-194150d3-10
0.346
MAK-UNK-f983951f-22
0.346
MIH-UNI-6b9ca91a-6
0.345
MAR-TRE-0fda4e82-24
0.342
AAR-UNI-c25c2f1e-100
0.339
CHA-MCP-85291e1d-3
0.338
DAN-MCD-9950a804-1
0.338
DAN-MCD-1a622181-1
0.338
MAK-UNK-c44f4be0-5
0.333
MAT-POS-b5746674-58
0.333
MAK-UNK-194150d3-17
0.333
WIL-UNI-5578df48-14
0.328
MAK-UNK-194150d3-16
0.328
MAK-UNK-c44f4be0-6
0.325
MAK-UNK-194150d3-4
0.324
AAR-UNI-c25c2f1e-56
0.324
MAK-UNK-194150d3-7
0.323
MAK-UNK-07311286-1
0.323
MAK-UNK-07311286-2
0.323
ANT-OPE-81f9835f-1
0.322
JOH-MSK-ec639444-3
0.322
JAY-JBL-db550ec5-2
0.321
DAN-MCD-34fd4f29-1
0.321
MAK-UNK-f983951f-13
0.320
JAY-JBL-db550ec5-1
0.319
MAR-TRE-4f781e27-48
0.319
PAU-WEI-b9b69149-7
0.318
MAK-UNK-c44f4be0-2
0.317
MAK-UNK-c44f4be0-1
0.317
MAR-UCB-195bc32d-16
0.317
LAU-FAC-8471e121-1
0.317
MAR-TRE-6a44bbf2-44
0.317
JOH-MSK-a63bdd1d-4
0.317
MAK-UNK-af83ef51-2
0.317
MAR-TRE-74c6519b-60
0.316
MAR-TRE-f6f5f473-7
0.316
MAK-UNK-194150d3-11
0.315
ALE-UNK-fca05062-6
0.315
DRA-CSI-47e38074-2
0.314
MAR-TRE-8190bb11-69
0.312
MAK-UNK-c44f4be0-7
0.312
SAN-PRS-3c4a6997-1
0.311
AAR-POS-d2a4d1df-2
0.311
MAK-UNK-129dcd6f-6
0.311
SAD-SAT-6b5a89f0-8
0.311
AAR-POS-d2a4d1df-10
0.310
MAK-UNK-ec98eaf6-54
0.308
NAU-LAT-81109c57-3
0.307
SAN-PRS-3c4a6997-3
0.306
MAK-UNK-15efde89-1
0.305
MAR-TRE-b77b7921-25
0.305
MAT-POS-b5746674-112
0.304
GIA-UNK-3f36037a-5
0.304
NAU-LAT-64f4b287-9
0.304
JOH-UNI-c7afdb96-15
0.304
AAR-UNI-c25c2f1e-90
0.303
MAK-UNK-194150d3-5
0.303
MAK-UNK-b2c98f02-3
0.303
BEN-DND-362d364a-1
0.303
MAK-UNK-f983951f-5
0.302
JOH-MSK-35a8745a-1
0.302
ALE-ACE-2610ee4d-1
0.302
MAR-TRE-6a44bbf2-9
0.302
MAR-UCB-195bc32d-21
0.302
DUN-NEW-f8ce3686-23
0.301
JUA-UNI-b93289a4-6
0.300
MAK-UNK-c44f4be0-9
0.299
MAK-UNK-b2c98f02-1
0.299
ASH-SAT-43770c7d-8
0.299
MAR-TRE-d3c2bf0e-11
0.298
JOH-MEM-4bb7e4cc-1
0.297
MAT-GIT-deadff56-1
0.297
DUN-NEW-f8ce3686-12
0.297
SIM-SYN-a98e6a07-4
0.296