Molecular Properties | |
SMILES: | COCCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O |
MW: | 325.11 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3313012356 |
MolPort: | MolPort-001-598-277 |
phthalimide
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-58
1.000
MAR-TRE-b77b7921-70
0.658
KEI-TRE-d5e2018a-83
0.617
MAR-TRE-3e4e6814-45
0.437
CHR-SOS-7098f804-12
0.421
MAR-TRE-2fd8122f-41
0.394
KEI-TRE-d5e2018a-86
0.385
KEI-TRE-d5e2018a-90
0.380
KEI-TRE-d5e2018a-22
0.374
MAR-TRE-f6f5f473-75
0.374
KEI-TRE-d5e2018a-70
0.372
MAR-TRE-2fd8122f-58
0.372
MAR-TRE-2fd8122f-40
0.366
KEI-TRE-d5e2018a-100
0.366
KEI-TRE-d5e2018a-36
0.359
MAR-TRE-04c86cea-90
0.359
KEI-TRE-d5e2018a-82
0.358
KEI-TRE-d5e2018a-28
0.356
MAR-TRE-f6f5f473-29
0.356
MAR-TRE-f6f5f473-79
0.355
MAK-UNK-ca11b4f7-3
0.352
MAR-TRE-2fd8122f-82
0.352
KEI-TRE-d5e2018a-91
0.351
CHR-SOS-7098f804-18
0.348
JOH-IMS-62aeb97d-5
0.347
KEI-TRE-d5e2018a-63
0.346
MAR-TRE-74c6519b-58
0.344
MAR-TRE-3e4e6814-34
0.344
KEI-TRE-d5e2018a-32
0.344
MAR-TRE-9c797165-95
0.343
MAR-TRE-2fd8122f-22
0.340
MAR-TRE-2fd8122f-31
0.340
MAR-TRE-4b834d9a-57
0.340
MAR-TRE-04c86cea-65
0.340
KEI-TRE-d5e2018a-56
0.340
MAR-TRE-2fd8122f-12
0.340
MAR-TRE-67513f76-81
0.338
CHR-SOS-7098f804-11
0.337
MAR-TRE-3e4e6814-93
0.337
KEI-TRE-d5e2018a-44
0.337
MAK-UNK-129dcd6f-9
0.337
MAR-TRE-4b834d9a-67
0.337
MAR-TRE-4b834d9a-71
0.337
MAR-TRE-2fd8122f-100
0.337
MAR-TRE-d0525fbf-35
0.333
KEI-TRE-d5e2018a-11
0.333
MAR-TRE-2fd8122f-71
0.330
MAK-UNK-10dfa458-24
0.330
CHR-SOS-7098f804-14
0.330
MAR-TRE-9c797165-52
0.330
MAR-TRE-2fd8122f-79
0.329
MAK-UNK-ca11b4f7-1
0.329
MAR-TRE-3e4e6814-66
0.326
MAR-TRE-9c797165-60
0.326
ANT-DIA-3c79be55-4
0.326
DAR-DIA-842b4336-11
0.325
DAR-DIA-842b4336-2
0.325
MAR-TRE-4b834d9a-92
0.323
MAR-TRE-2fd8122f-24
0.323
MAR-TRE-f6f5f473-36
0.323
MAR-TRE-74c6519b-42
0.323
MAR-TRE-2fd8122f-34
0.323
CHR-SOS-7098f804-15
0.323
MAR-TRE-9c797165-21
0.323
MAR-TRE-c317dd82-59
0.323
MAR-TRE-4b834d9a-31
0.322
MAR-TRE-67513f76-73
0.322
JAN-GHE-4287bd1a-9
0.321
ALE-HEI-f28a35b5-16
0.321
KEI-TRE-d5e2018a-53
0.320
CHR-SOS-7098f804-22
0.320
MAR-TRE-b77b7921-78
0.320
KEI-TRE-d5e2018a-67
0.320
MAR-TRE-3e4e6814-92
0.320
MAR-TRE-2fd8122f-65
0.319
MAR-TRE-7f7bb9f0-90
0.318
MAR-TRE-3e4e6814-50
0.318
MAR-TRE-f6f5f473-58
0.317
KEI-TRE-d5e2018a-71
0.316
CHR-SOS-7098f804-19
0.316
MAR-TRE-67513f76-48
0.316
MAR-TRE-f6f5f473-46
0.316
MAR-TRE-3e4e6814-65
0.316
MAR-TRE-2fd8122f-42
0.316
MAR-TRE-b77b7921-52
0.316
MAK-UNK-129dcd6f-12
0.315
MAK-UNK-ca11b4f7-2
0.315
JOH-IMS-62aeb97d-2
0.313
MAR-TRE-d0525fbf-33
0.313
CHR-SOS-7098f804-16
0.312
MAR-TRE-7f7bb9f0-33
0.312
MAR-TRE-2fd8122f-72
0.312
MIZ-UNK-e844285e-1
0.311
MAR-TRE-2fd8122f-97
0.311
IAN-BAS-df1706d7-1
0.311
MAR-TRE-4b834d9a-24
0.311
WIL-UNI-5578df48-22
0.310
KEI-TRE-d5e2018a-49
0.310
WIL-UNI-5578df48-21
0.310
ALE-HEI-f28a35b5-5
0.310