Molecular Properties | |
SMILES: | O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccnc1NC1CCCCC1 |
MW: | 392.18 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 91.4 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5077644896 |
MolPort: | MolPort-007-851-039 |
phthalimide
MAR-TRE-04c86cea-68
0.942
MAR-TRE-f6f5f473-27
0.551
MAR-TRE-3e4e6814-55
0.359
SIM-DEM-2843056b-6
0.327
MAR-TRE-67513f76-48
0.313
SIM-DEM-2843056b-3
0.311
SIM-DEM-2843056b-7
0.305
SIM-DEM-2843056b-1
0.302
SID-ELM-8b394441-2
0.300
SID-ELM-8b394441-4
0.300
MAR-TRE-8190bb11-96
0.297
MAR-TRE-fd17a9b8-65
0.290
DAR-DIA-03336633-6
0.286
MAR-TRE-3159af1a-49
0.279
MAR-TRE-f6f5f473-67
0.279
MED-UNK-e6e8ef8a-8
0.276
DAR-DIA-03336633-7
0.275
MAR-TRE-74c6519b-58
0.273
MAR-TRE-3e4e6814-41
0.272
MAR-TRE-7f7bb9f0-14
0.270
MAR-TRE-2fd8122f-72
0.270
MAR-TRE-7f7bb9f0-96
0.269
MAK-UNK-b2c98f02-1
0.269
MAR-TRE-b77b7921-93
0.269
MAR-TRE-f6f5f473-89
0.269
AAR-POS-0daf6b7e-20
0.268
SIM-DEM-2843056b-5
0.266
MAR-TRE-3e4e6814-81
0.265
SIM-DEM-1d7050d3-1
0.262
MAR-TRE-f6f5f473-70
0.261
MAR-TRE-f6f5f473-53
0.259
MAR-TRE-67513f76-99
0.258
MAR-TRE-8190bb11-43
0.257
DAR-DIA-03336633-13
0.257
DAR-DIA-03336633-2
0.257
DAR-DIA-03336633-5
0.257
ALE-HEI-f28a35b5-8
0.256
MAR-TRE-74c6519b-42
0.255
PET-SGC-c429dc17-1
0.255
CES-WAB-18e74d70-1
0.255
MAR-TRE-74c6519b-48
0.255
MAR-TRE-74c6519b-95
0.255
HAN-NEW-5f56c3bc-3
0.255
DAR-DIA-03336633-1
0.255
MAR-TRE-04c86cea-5
0.254
MAK-UNK-f2409524-35
0.254
MAR-TRE-14ce9fd6-1
0.253
MAR-TRE-74c6519b-61
0.252
MAK-UNK-f2409524-7
0.250
MAK-UNK-f2409524-36
0.250
AAR-POS-d2a4d1df-12
0.250
MAR-TRE-f6f5f473-30
0.250
MAR-TRE-04c86cea-10
0.248
MAR-TRE-f6f5f473-54
0.248
MAR-TRE-74c6519b-3
0.248
LON-WEI-af038623-1
0.248
TAT-ENA-80bfd3e5-19
0.248
MAR-TRE-3159af1a-73
0.248
MAR-TRE-04c86cea-89
0.246
DAR-DIA-eace69ff-6
0.246
MAR-TRE-f6f5f473-83
0.245
MAR-TRE-f6f5f473-98
0.245
SID-ELM-2583a2cd-21
0.245
MAR-TRE-b77b7921-15
0.244
MAK-UNK-f2409524-15
0.243
MAR-TRE-6a44bbf2-11
0.242
MIZ-UNK-e844285e-1
0.241
MAR-TRE-f6f5f473-26
0.241
MAR-TRE-f6f5f473-82
0.241
MAR-TRE-74c6519b-44
0.241
SID-ELM-b654bfa2-10
0.240
MAR-TRE-36bf7dba-35
0.240
MAR-TRE-04c86cea-62
0.239
MAR-TRE-74c6519b-71
0.239
LON-WEI-4d77710c-27
0.238
LON-WEI-5e7d1b3e-27
0.238
MAR-TRE-8190bb11-30
0.238
MAR-TRE-36bf7dba-25
0.237
MAR-TRE-9c797165-50
0.237
MAR-TRE-f6f5f473-88
0.237
KAD-UNI-cb0f2bbc-22
0.237
MAT-POS-61f37a1a-3
0.237
ALE-HEI-f28a35b5-7
0.237
TRY-UNI-714a760b-11
0.237
DAR-DIA-eace69ff-17
0.236
ADA-UCB-b1b30a00-9
0.236
SID-ELM-2583a2cd-4
0.235
DAR-DIA-03336633-12
0.235
ZAC-WAB-86e8bacf-1
0.235
MAK-UNK-f2409524-16
0.235
MAR-TRE-04c86cea-8
0.235
MAR-TRE-9c797165-2
0.235
AGN-NEW-c7b24fe3-5
0.235
MAK-UNK-f2409524-31
0.234
MAR-TRE-3e4e6814-95
0.234
DAR-DIA-eace69ff-5
0.234
MAR-TRE-b77b7921-44
0.234
MAR-TRE-7f7bb9f0-55
0.234
MAR-TRE-9c797165-35
0.233
MAR-TRE-f6f5f473-15
0.233