Molecular Properties | |
SMILES: | CCCC(=O)NC(CC)Cc1ccccc1 |
MW: | 219.328 |
Fraction sp3: | 0.5 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 29.1 |
cLogP: | 2.924 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | FCH9216167 |
Enamine REAL: | Z57156886 |
Enamine Extended REAL: | s_22____3066664____58866 |
Mcule: | MCULE-9344420724 |
MolPort: | MolPort-001-959-578 |
Long aliphatic chain
AAR-POS-d2a4d1df-1
MAK-UNK-f983951f-22
0.386
ARI-TAT-5792557e-28
0.382
MAK-UNK-27459e11-5
0.373
JUA-UNI-b93289a4-6
0.359
ALE-UNK-fca05062-8
0.328
MAR-TRE-e86a56b5-55
0.324
MAK-UNK-27459e11-12
0.322
ANT-DIA-b7f58f21-4
0.315
ALE-UNK-fca05062-7
0.303
GIA-UNK-3f36037a-5
0.302
JUA-UNI-a9dfaed1-6
0.300
BEN-DND-93268d01-14
0.300
ARI-TAT-5792557e-29
0.287
MAR-TRE-92684b97-51
0.286
FAR-UNI-a04c1544-1
0.284
BAR-COM-4e090d3a-36
0.282
JOH-UNI-c7afdb96-15
0.281
NAU-LAT-64f4b287-9
0.281
MAT-POS-bfefc3ea-2
0.280
MAK-UNK-9955b1f3-12
0.275
FAR-UNI-124f5ee8-1
0.275
SAL-INS-68b48d12-2
0.273
SAL-INS-68b48d12-4
0.272
RAL-THA-2d450e86-1
0.271
MAK-UNK-f983951f-13
0.271
NEL-UNI-1464a899-4
0.270
SAL-INS-a5f8a8b9-2
0.270
MAR-TRE-e86a56b5-69
0.269
NIC-BIO-3276ca7f-4
0.268
JUS-UNI-57125a42-1
0.268
AAR-POS-d2a4d1df-1
0.268
ALP-POS-8df010a9-1
0.267
BAR-COM-4e090d3a-19
0.266
NIC-BIO-3276ca7f-7
0.266
MAK-UNK-27459e11-2
0.266
SAL-INS-68b48d12-12
0.265
ALE-UNK-fca05062-1
0.265
SAL-INS-a5f8a8b9-1
0.264
MAR-SOS-c7881798-7
0.263
MAR-SOS-82e3a7c7-4
0.263
MAT-POS-b5746674-62
0.263
MAR-TRE-3e4e6814-5
0.263
ANT-OPE-6a16a9ad-1
0.262
GIA-UNK-3f36037a-6
0.261
LON-WEI-1908424e-1
0.260
MAR-TRE-f6f5f473-80
0.260
MAR-SOS-c7881798-1
0.260
MAR-SOS-82e3a7c7-11
0.260
BAR-COM-4e090d3a-7
0.259
CUN-WAB-25b584ee-1
0.259
JUA-UNI-b93289a4-5
0.259
MAK-UNK-f983951f-5
0.258
DRA-CSI-47e38074-3
0.258
LAU-FAC-8471e121-1
0.257
ALE-UNK-fca05062-3
0.257
WIL-UNI-1faa9b10-51
0.257
MAR-SOS-c7881798-10
0.256
MAR-SOS-82e3a7c7-5
0.256
ALP-POS-8ed8d9ec-11
0.256
MAK-UNK-a7b37c5e-3
0.254
BAR-COM-4e090d3a-29
0.253
MAK-UNK-27459e11-1
0.250
MAK-UNK-194150d3-8
0.250
MAR-SOS-c7881798-12
0.250
MAR-SOS-82e3a7c7-3
0.250
MAR-SOS-c7881798-11
0.250
MAR-SOS-82e3a7c7-10
0.250
JUA-UNI-b93289a4-2
0.250
ALP-POS-a3de0cb1-6
0.250
HOL-KAN-13beedf0-1
0.250
SAL-INS-68b48d12-1
0.250
MAK-UNK-c44f4be0-10
0.250
TRY-UNI-714a760b-5
0.250
YIA-UNI-71f25a82-2
0.250
MAR-TRE-a3327163-30
0.247
NIM-UNI-bb9030bf-1
0.247
MAR-TRE-74c6519b-52
0.247
SAN-PRS-52b81272-2
0.246
ALE-UNK-fca05062-4
0.246
ALE-UNK-fca05062-5
0.246
DRA-CSI-47e38074-2
0.246
MAR-TRE-fffca54f-96
0.246
MAR-TRE-e86a56b5-63
0.246
MAK-UNK-27459e11-4
0.246
ABH-HOE-1cbf6cd9-4
0.245
UNK-CYC-68f84b31-41
0.244
ABH-HOE-1cbf6cd9-3
0.244
BAR-COM-4e090d3a-67
0.244
BAR-COM-4e090d3a-56
0.244
AAR-UNI-c25c2f1e-100
0.243
MAR-TRE-6a44bbf2-23
0.243
TRY-UNI-714a760b-2
0.243
MAR-TRE-e86a56b5-66
0.243
JUA-UNI-b93289a4-3
0.242
MAK-UNK-194150d3-6
0.242
MAR-TRE-e86a56b5-58
0.242
MAK-UNK-c44f4be0-8
0.242
MAX-MCD-16e3709a-1
0.241
MAR-TRE-a3327163-36
0.241
MAR-TRE-3159af1a-14
0.241