Molecular Properties | |
SMILES: | O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O |
MW: | 317.13 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 94.91 |
cLogP: | 1.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1372716909 |
phthalimide
Filter78_bicyclic_Imide
cytochalasin
MAR-TRE-e86a56b5-21
0.559
MAR-TRE-e86a56b5-11
0.508
MAR-TRE-e86a56b5-37
0.500
MAR-TRE-e86a56b5-6
0.484
MAR-TRE-e86a56b5-39
0.419
MAR-TRE-4f39ef4a-40
0.403
MAR-TRE-e86a56b5-5
0.400
MAR-TRE-e86a56b5-45
0.371
MAR-TRE-e86a56b5-62
0.371
MAR-TRE-e86a56b5-50
0.362
MAR-TRE-e86a56b5-98
0.354
MAR-TRE-e86a56b5-99
0.349
MAR-TRE-e86a56b5-19
0.347
MAR-TRE-e86a56b5-63
0.344
MAR-TRE-fffca54f-96
0.344
MAR-TRE-e86a56b5-28
0.338
MAR-TRE-4f39ef4a-52
0.338
MAR-TRE-e86a56b5-81
0.324
MAR-TRE-e86a56b5-84
0.321
MAR-TRE-e86a56b5-47
0.318
MAR-TRE-e86a56b5-56
0.308
MAR-TRE-e86a56b5-36
0.307
MAR-TRE-85681e92-70
0.304
MAR-TRE-e86a56b5-31
0.304
MAR-TRE-e86a56b5-25
0.304
MAR-TRE-ebcc4ad6-35
0.304
MAR-TRE-e86a56b5-57
0.301
MAR-TRE-e86a56b5-58
0.297
MAR-TRE-e86a56b5-67
0.296
MAR-TRE-4f39ef4a-25
0.293
MAR-TRE-e86a56b5-66
0.292
MAR-TRE-e86a56b5-65
0.288
NIC-BIO-a68395b7-1
0.284
MAR-TRE-e86a56b5-46
0.284
MAR-TRE-e86a56b5-69
0.282
MAR-TRE-e86a56b5-55
0.280
VOL-CHA-d666e5ae-4
0.278
MAR-TRE-e86a56b5-42
0.275
AAR-POS-d2a4d1df-16
0.267
MAR-TRE-4f39ef4a-44
0.267
MAR-TRE-85681e92-51
0.260
MAR-TRE-d3c2bf0e-8
0.258
MAR-UCB-195bc32d-43
0.254
MAR-TRE-e86a56b5-97
0.253
NIM-UNI-ed9fc491-3
0.253
VOL-CHA-d666e5ae-5
0.250
NIC-BIO-a68395b7-2
0.250
MAR-TRE-f6f5f473-67
0.247
TRY-UNI-9f475305-11
0.247
MAR-TRE-e86a56b5-77
0.247
MAR-TRE-e86a56b5-73
0.247
NIM-UNI-ed9fc491-1
0.244
NIC-BIO-a68395b7-4
0.244
VOL-CHA-d666e5ae-1
0.244
NIC-BIO-a68395b7-3
0.244
NIC-BIO-a68395b7-5
0.244
MAR-TRE-4f39ef4a-21
0.244
NIM-UNI-ed9fc491-2
0.241
MAR-TRE-4f39ef4a-10
0.241
MAR-TRE-4f39ef4a-13
0.237
MAR-TRE-4f39ef4a-30
0.237
MAR-TRE-4f39ef4a-32
0.237
CHA-KIN-bfe9b535-3
0.236
TRY-UNI-9f475305-10
0.235
MAR-TRE-e86a56b5-2
0.235
VOL-CHA-d666e5ae-2
0.235
MAR-TRE-4f39ef4a-24
0.235
MAR-TRE-fffca54f-71
0.234
MAR-TRE-e86a56b5-74
0.234
MAR-TRE-e86a56b5-30
0.233
MAR-TRE-e86a56b5-40
0.232
VOL-CHA-d666e5ae-3
0.232
SEA-TRI-8252c13b-1
0.230
MED-COV-4280ac29-2
0.227
NIM-UNI-ed9fc491-4
0.224
MAR-TRE-e86a56b5-71
0.224
MAK-UNK-10799360-26
0.223
GIA-UNK-a33ae3bd-1
0.222
MAK-UNK-c44f4be0-7
0.221
MAR-TRE-e86a56b5-88
0.221
CHA-KIN-bfe9b535-8
0.220
MAK-UNK-c44f4be0-10
0.220
LAU-OPA-3eee07c1-2
0.219
MAR-UCB-195bc32d-14
0.218
MAR-TRE-9d18ae8c-20
0.217
NIM-UNI-43fe0159-3
0.216
MAR-TRE-fffca54f-45
0.216
MAR-TRE-4f39ef4a-66
0.216
MAR-TRE-e86a56b5-86
0.215
MAK-UNK-10799360-33
0.215
MAK-UNK-c44f4be0-14
0.215
CHA-KIN-bfe9b535-7
0.215
CHA-KIN-bfe9b535-4
0.215
MAK-UNK-c44f4be0-8
0.214
SEL-UNI-49ab05bd-6
0.214
MAR-TRE-4f39ef4a-41
0.212
MAR-TRE-fd17a9b8-77
0.212
MAR-TRE-f6f5f473-89
0.211
MAK-UNK-c44f4be0-9
0.211
MAR-TRE-ebcc4ad6-17
0.211