Molecular Properties | |
SMILES: | CC(C)c1ccc(CCC(=O)NCCC(=O)Nc2ccccc2)cc1 |
MW: | 338.2 |
Fraction sp3: | 0.33 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 58.2 |
cLogP: | 3.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
LIL-FNM-e1865f24-1
0.382
SAD-SAT-6b5a89f0-8
0.367
AAR-UNI-c25c2f1e-71
0.362
AAR-UNI-c25c2f1e-100
0.359
GIA-UNK-3f36037a-4
0.338
AAR-UNI-c25c2f1e-51
0.321
AAR-UNI-c25c2f1e-45
0.317
MAR-TRE-4f781e27-49
0.316
MAR-TRE-3e4e6814-59
0.314
AAR-UNI-c25c2f1e-39
0.310
MAR-TRE-1c920f6f-59
0.310
GIA-UNK-3f36037a-7
0.309
WES-WAB-2b40d25a-1
0.304
MAX-MCD-16e3709a-1
0.303
WIL-LEE-23e8b574-6
0.301
AAR-UNI-c25c2f1e-30
0.296
MAR-TRE-9c797165-57
0.292
MAR-TRE-14ce9fd6-61
0.292
JAG-SYN-9c2cd0bd-8
0.291
GIA-UNK-3f36037a-2
0.289
AAR-UNI-c25c2f1e-78
0.289
ANT-DIA-b7f58f21-4
0.288
NEL-UNI-1464a899-4
0.288
DAR-DIA-03336633-15
0.287
DAR-DIA-23aa0b97-20
0.287
AAR-UNI-c25c2f1e-52
0.286
MAK-UNK-194150d3-8
0.284
AAR-UNI-c25c2f1e-16
0.280
MAR-TRE-e86a56b5-66
0.278
CHR-SOS-7098f804-9
0.277
AAR-UNI-c25c2f1e-46
0.275
LAU-FAC-8471e121-1
0.275
ALE-UNK-fca05062-3
0.275
MAR-TRE-9c797165-70
0.275
AAR-UNI-c25c2f1e-47
0.275
MAR-TRE-3e4e6814-50
0.274
MAR-TRE-1c920f6f-42
0.274
AAR-UNI-c25c2f1e-65
0.274
SAD-SAT-29425be4-15
0.273
JOH-UNI-c7afdb96-12
0.273
JOH-SUS-bab12148-1
0.271
AAR-UNI-c25c2f1e-97
0.271
MAR-TRE-b77b7921-80
0.270
KEN-ILL-f8fa3277-4
0.269
AAR-UNI-c25c2f1e-79
0.268
DAR-DIA-03336633-2
0.268
ALE-UNK-fca05062-4
0.267
MAR-TRE-9d18ae8c-52
0.267
MAR-TRE-6a44bbf2-9
0.265
BEN-DND-93268d01-5
0.265
MAR-TRE-b77b7921-82
0.265
MAR-TRE-74c6519b-46
0.264
AHN-SAT-de2502ba-7
0.263
CUN-WAB-25b584ee-2
0.263
MAR-TRE-3e4e6814-87
0.262
AAR-UNI-c25c2f1e-40
0.262
AAR-POS-0daf6b7e-44
0.260
MAK-UNK-af83ef51-2
0.259
MAK-UNK-194150d3-12
0.259
AAR-UNI-c25c2f1e-82
0.259
MAR-TRE-7f7bb9f0-82
0.258
CHR-SOS-7098f804-8
0.257
TAT-ENA-80bfd3e5-23
0.256
SID-ELM-8b394441-6
0.256
SID-ELM-b654bfa2-2
0.256
MAR-TRE-e82e6c98-50
0.256
MAR-TRE-4b834d9a-78
0.256
MAR-TRE-3e4e6814-39
0.256
AAR-UNI-c25c2f1e-31
0.256
MAR-TRE-9c797165-48
0.256
MAR-TRE-0fda4e82-84
0.256
MAR-TRE-9d18ae8c-54
0.256
JAG-SYN-9c2cd0bd-14
0.253
AAR-UNI-c25c2f1e-90
0.253
MAK-UNK-f2409524-35
0.252
MAR-TRE-c8530538-17
0.250
LEI-UNA-45e2e23e-1
0.250
MAK-UNK-27459e11-2
0.250
MAR-TRE-7f7bb9f0-81
0.250
SAN-PRS-52b81272-2
0.250
MAR-TRE-6a44bbf2-86
0.250
MAR-TRE-74c6519b-52
0.250
MAR-TRE-9d18ae8c-53
0.250
AAR-UNI-c25c2f1e-98
0.250
LON-WEI-120e5cf5-15
0.250
MAT-POS-b5746674-58
0.250
MAR-TRE-0fda4e82-1
0.250
MAR-TRE-0fda4e82-24
0.247
AAR-UNI-c25c2f1e-64
0.247
WES-WAB-6f418dc2-1
0.247
SAD-SAT-689b7d5a-6
0.247
MAR-TRE-67513f76-88
0.247
MAR-TRE-799db12b-16
0.247
BAR-COM-4e090d3a-11
0.247
BEN-DND-031a96cc-8
0.247
LON-WEI-5e7d1b3e-17
0.245
MAT-POS-2492181e-4
0.245
LON-WEI-4d77710c-17
0.245
AAR-UNI-c25c2f1e-75
0.244
SAD-SAT-689b7d5a-4
0.244