Molecular Properties | |
SMILES: | O=C(O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O |
MW: | 446.92 |
Fraction sp3: | 0.12 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 94.91 |
cLogP: | 4.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2900307872 |
perhalo_dicarbonyl_phenyl
halogenated ring
halogenated ring
phthalimide
Polyhalogenated compounds (only Cl, Br and I)
high halogen content (>3)
MAR-TRE-e86a56b5-11
0.589
MAR-TRE-e86a56b5-15
0.484
MAR-TRE-e86a56b5-21
0.484
MAR-TRE-e86a56b5-37
0.476
MAR-TRE-e86a56b5-39
0.419
MAR-TRE-4f39ef4a-40
0.403
MAR-TRE-e86a56b5-50
0.403
MAR-TRE-e86a56b5-5
0.400
MAR-TRE-e86a56b5-45
0.371
MAR-TRE-e86a56b5-62
0.349
MAR-TRE-fffca54f-96
0.344
MAR-TRE-e86a56b5-63
0.344
MAR-TRE-4f39ef4a-52
0.338
MAR-TRE-e86a56b5-98
0.333
MAR-TRE-e86a56b5-99
0.328
MAR-TRE-ebcc4ad6-35
0.327
MAR-TRE-e86a56b5-84
0.321
MAR-TRE-e86a56b5-47
0.318
MAR-TRE-4f39ef4a-25
0.309
MAR-TRE-e86a56b5-56
0.308
MAR-TRE-85681e92-70
0.304
MAR-TRE-e86a56b5-31
0.304
MAR-TRE-e86a56b5-81
0.304
MAR-TRE-e86a56b5-46
0.301
MAR-TRE-e86a56b5-58
0.297
MAR-TRE-e86a56b5-67
0.296
MAR-TRE-e86a56b5-66
0.292
MAR-TRE-e86a56b5-25
0.287
MAR-TRE-e86a56b5-28
0.284
MAR-TRE-e86a56b5-69
0.282
MAR-TRE-e86a56b5-55
0.280
TRY-UNI-9f475305-11
0.278
NIC-BIO-a68395b7-3
0.276
MAR-TRE-e86a56b5-19
0.276
NIC-BIO-a68395b7-4
0.275
CHA-KIN-bfe9b535-7
0.275
MAR-TRE-e86a56b5-74
0.267
AAR-POS-d2a4d1df-16
0.267
MAR-TRE-4f39ef4a-44
0.267
VOL-CHA-d666e5ae-5
0.267
MAR-TRE-e86a56b5-73
0.263
CHA-KIN-bfe9b535-4
0.262
MAR-TRE-85681e92-51
0.260
CHA-KIN-bfe9b535-3
0.260
CHA-KIN-bfe9b535-8
0.258
MAR-TRE-d3c2bf0e-8
0.258
MAR-TRE-e86a56b5-42
0.257
MED-COV-4280ac29-2
0.256
CHA-KIN-bfe9b535-5
0.255
MAR-UCB-195bc32d-43
0.254
MAR-TRE-4f39ef4a-13
0.253
MAR-TRE-e86a56b5-97
0.253
VOL-CHA-d666e5ae-4
0.247
MAR-TRE-e86a56b5-77
0.247
MAR-TRE-e86a56b5-65
0.246
GIA-UNK-a33ae3bd-1
0.245
CHA-KIN-bfe9b535-1
0.245
NIM-UNI-ed9fc491-1
0.244
SEA-TRI-8252c13b-1
0.244
VOL-CHA-d666e5ae-1
0.244
MAR-TRE-4f39ef4a-21
0.244
MAR-TRE-4f39ef4a-41
0.244
NIC-BIO-a68395b7-5
0.244
NIM-UNI-ed9fc491-2
0.241
MAR-TRE-e86a56b5-36
0.241
MAR-TRE-4f39ef4a-10
0.241
NIM-UNI-ed9fc491-3
0.239
NIC-BIO-a68395b7-1
0.238
MAR-TRE-4f39ef4a-30
0.237
MAR-TRE-4f39ef4a-32
0.237
CHA-KIN-bfe9b535-6
0.236
TRY-UNI-9f475305-10
0.235
CHA-KIN-45d1307a-3
0.235
VOL-CHA-d666e5ae-2
0.235
NIC-BIO-a68395b7-2
0.235
MAR-TRE-4f39ef4a-24
0.235
MAR-TRE-fffca54f-71
0.234
MAR-TRE-e86a56b5-57
0.234
CHA-KIN-bfe9b535-9
0.234
MAK-UNK-c44f4be0-10
0.233
CHA-KIN-bfe9b535-2
0.233
MAR-TRE-e86a56b5-40
0.232
VOL-CHA-d666e5ae-3
0.232
CHA-KIN-7308df58-2
0.230
MAK-UNK-c44f4be0-14
0.228
MAK-UNK-c44f4be0-8
0.227
CHA-KIN-45d1307a-2
0.225
NIM-UNI-ed9fc491-4
0.224
MAR-TRE-e86a56b5-71
0.224
MAR-TRE-4f39ef4a-62
0.224
MAK-UNK-c44f4be0-9
0.223
MAK-UNK-c44f4be0-7
0.221
MAR-TRE-e86a56b5-2
0.221
MAR-TRE-e86a56b5-88
0.221
MAK-UNK-c44f4be0-4
0.220
MAR-TRE-4f39ef4a-55
0.220
LOR-NOR-c954e7ad-4
0.219
MAK-UNK-c44f4be0-11
0.219
MAR-UCB-195bc32d-14
0.218
MAR-TRE-9d18ae8c-20
0.217