Molecular Properties | |
SMILES: | Cc1cccc(C(=O)NCCCNC(=O)c2cccc(C)c2)c1 |
MW: | 310.17 |
Fraction sp3: | 0.26 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 58.2 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
AAR-UNI-c25c2f1e-29
0.435
AAR-UNI-c25c2f1e-94
0.386
AAR-UNI-c25c2f1e-60
0.343
MAK-UNK-af83ef51-13
0.339
AAR-UNI-c25c2f1e-30
0.318
AAR-UNI-c25c2f1e-95
0.315
AAR-UNI-c25c2f1e-6
0.312
MAR-LAB-ca4662a6-5
0.308
MAR-TRE-f6f5f473-41
0.308
MAT-POS-b5746674-68
0.306
RAF-POL-b61b4b25-9
0.303
AAR-UNI-c25c2f1e-39
0.297
AAR-UNI-c25c2f1e-83
0.296
AAR-UNI-c25c2f1e-57
0.296
JON-UIO-56032f80-2
0.292
AAR-UNI-c25c2f1e-20
0.289
NAU-LAT-f723e322-3
0.278
SAD-SAT-5b1897b2-4
0.274
MAK-UNK-27459e11-15
0.274
NIR-THE-c331be7a-6
0.274
MAR-TRE-9d18ae8c-43
0.273
MAR-TRE-92684b97-86
0.271
SAD-SAT-29425be4-20
0.270
MAK-UNK-7c9d1431-15
0.269
JOH-UNI-c7afdb96-13
0.269
MAR-TRE-92684b97-85
0.268
BEN-DND-7e92b6ca-1
0.268
NIM-UNI-6eebfcd4-2
0.266
AAR-POS-d2a4d1df-24
0.266
MAR-TRE-8190bb11-96
0.265
NIR-THE-0d6461ce-1
0.265
AAR-UNI-c25c2f1e-79
0.265
MAR-TRE-3159af1a-25
0.264
MAR-TRE-799db12b-39
0.264
AAR-UNI-c25c2f1e-87
0.263
AAR-UNI-c25c2f1e-37
0.263
MAK-UNK-942dcb71-11
0.262
MAR-TRE-66ac689e-59
0.261
AAR-UNI-c25c2f1e-98
0.260
MAR-TRE-c8530538-69
0.260
MAK-UNK-c44f4be0-4
0.258
MAK-UNK-752736de-6
0.258
MAR-TRE-f6f5f473-42
0.258
NAU-LAT-e1818702-11
0.257
UNK-CYC-68f84b31-45
0.256
JOH-UNI-c7afdb96-8
0.254
AAR-UNI-c25c2f1e-46
0.254
MAR-TRE-92684b97-66
0.254
MAR-TRE-9d18ae8c-48
0.254
MAR-TRE-c317dd82-92
0.254
MAR-TRE-66ac689e-28
0.254
BEN-DND-b89db3f2-4
0.253
SEL-UNI-cd366922-9
0.253
MAK-UNK-0955449e-25
0.253
WAR-XCH-eb7b662f-6
0.250
AAR-UNI-c25c2f1e-74
0.250
MAK-UNK-af83ef51-6
0.250
MAK-UNK-af83ef51-9
0.250
AAR-UNI-c25c2f1e-22
0.250
MAK-UNK-af83ef51-4
0.250
CHR-SOS-7098f804-8
0.250
MAR-TRE-e82e6c98-26
0.250
MAR-TRE-e82e6c98-29
0.250
MAR-TRE-a9136c7b-28
0.250
MAR-TRE-66ac689e-33
0.247
MAR-TRE-1c920f6f-90
0.247
MAK-UNK-af83ef51-7
0.247
MAR-TRE-4f781e27-58
0.247
ALP-POS-95b75b4d-9
0.247
JOH-UNI-c7afdb96-7
0.246
NEL-UNI-1464a899-6
0.246
MAR-TRE-a9136c7b-23
0.244
AAR-UNI-c25c2f1e-41
0.244
WIL-UNI-1faa9b10-7
0.244
MAR-TRE-66ac689e-1
0.244
MAK-UNK-ec98eaf6-32
0.243
JON-UNI-4b544d07-6
0.242
ROM-UNK-ef52a3c9-4
0.241
NIR-THE-0d6461ce-12
0.241
LOR-NOR-30067bb9-8
0.240
JOH-UNI-c7afdb96-6
0.239
MAK-UNK-3f402c2b-3
0.239
MAR-UCB-195bc32d-53
0.239
MAK-UNK-af83ef51-8
0.239
JAG-UCB-cedd89ab-5
0.239
UNK-CYC-68f84b31-62
0.239
AHN-SAT-02ef6d10-3
0.238
NEL-UNI-1464a899-2
0.238
MAK-UNK-942dcb71-12
0.238
GIA-UNK-7337c2f3-8
0.236
MAK-UNK-10dfa458-10
0.235
MAR-TRE-3159af1a-4
0.235
NEL-UNI-1464a899-7
0.234
NIR-THE-0d6461ce-11
0.234
MAR-TRE-0fda4e82-86
0.234
MAR-TRE-14ce9fd6-43
0.234
MED-COV-4280ac29-4
0.234
LOR-NOR-30067bb9-2
0.234
ANT-DIA-b7f58f21-2
0.233
AGN-NEW-c7b24fe3-6
0.233