Molecular Properties | |
SMILES: | O=C(O)[C@@H](Cc1ccc(O)cc1)n1cnnn1 |
MW: | 234.08 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.13 |
cLogP: | 0.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1462328874 |
MAR-TRE-e86a56b5-11
0.441
MAR-TRE-e86a56b5-6
0.419
MAR-TRE-e86a56b5-21
0.419
MAR-TRE-e86a56b5-15
0.419
MAR-TRE-e86a56b5-37
0.413
MAR-TRE-4f39ef4a-40
0.406
MAR-TRE-e86a56b5-5
0.382
MAR-TRE-e86a56b5-45
0.373
MAR-TRE-e86a56b5-62
0.373
MAR-TRE-e86a56b5-63
0.368
MAR-TRE-fffca54f-96
0.368
MAR-TRE-85681e92-70
0.365
MAR-TRE-e86a56b5-50
0.364
MAR-TRE-e86a56b5-98
0.355
MAR-TRE-e86a56b5-99
0.350
MAR-TRE-e86a56b5-47
0.339
MAR-TRE-4f39ef4a-52
0.338
MAR-TRE-e86a56b5-25
0.338
MAR-TRE-e86a56b5-56
0.328
MAR-TRE-ebcc4ad6-35
0.327
MAR-TRE-e86a56b5-81
0.323
MAR-TRE-e86a56b5-31
0.323
MAR-TRE-e86a56b5-84
0.320
MAR-TRE-e86a56b5-28
0.319
MAR-TRE-e86a56b5-58
0.317
MAR-TRE-e86a56b5-67
0.313
MAR-TRE-85681e92-51
0.313
MAR-TRE-e86a56b5-66
0.309
MAR-TRE-4f39ef4a-25
0.308
MAR-TRE-e86a56b5-46
0.300
AAR-POS-d2a4d1df-16
0.300
VOL-CHA-d666e5ae-5
0.300
MAR-TRE-e86a56b5-69
0.299
MAR-TRE-e86a56b5-55
0.296
MAR-TRE-e86a56b5-19
0.292
MAR-TRE-e86a56b5-97
0.282
NIC-BIO-a68395b7-2
0.280
TRY-UNI-9f475305-10
0.278
VOL-CHA-d666e5ae-4
0.276
TRY-UNI-9f475305-11
0.276
NIC-BIO-a68395b7-5
0.274
NIC-BIO-a68395b7-3
0.274
NIC-BIO-a68395b7-4
0.273
VOL-CHA-d666e5ae-1
0.273
NIM-UNI-ed9fc491-1
0.272
MAR-UCB-195bc32d-43
0.270
NIM-UNI-ed9fc491-2
0.268
NIC-BIO-a68395b7-1
0.266
NIM-UNI-ed9fc491-3
0.264
MAR-TRE-4f39ef4a-44
0.264
VOL-CHA-d666e5ae-2
0.263
MAR-TRE-e86a56b5-73
0.260
MAR-TRE-e86a56b5-77
0.260
VOL-CHA-d666e5ae-3
0.260
MAR-TRE-9d18ae8c-20
0.256
MAR-TRE-d3c2bf0e-8
0.254
MAR-TRE-e86a56b5-36
0.253
MAR-TRE-4f39ef4a-10
0.253
MAK-UNK-c44f4be0-8
0.250
MAR-TRE-fffca54f-71
0.250
CHA-KIN-bfe9b535-4
0.248
CHA-KIN-45d1307a-2
0.247
NIM-UNI-ed9fc491-4
0.247
CHA-KIN-bfe9b535-3
0.245
MAK-UNK-c44f4be0-10
0.244
MAR-TRE-e86a56b5-30
0.244
MAR-UCB-195bc32d-14
0.244
JUL-TUD-06b2044f-145
0.243
MAK-UNK-c44f4be0-4
0.242
CHA-KIN-bfe9b535-8
0.242
MAR-TRE-e86a56b5-65
0.241
MAR-TRE-4f39ef4a-21
0.240
GIA-UNK-a33ae3bd-1
0.240
MAR-TRE-e86a56b5-52
0.239
MAR-TRE-85681e92-39
0.239
MAK-UNK-c44f4be0-14
0.239
MAR-TRE-e86a56b5-71
0.238
CHA-KIN-bfe9b535-7
0.235
MAR-TRE-e86a56b5-42
0.235
MAR-TRE-e86a56b5-88
0.234
MAR-TRE-4f39ef4a-13
0.234
MAR-TRE-4f39ef4a-30
0.234
MAK-UNK-c44f4be0-9
0.233
MAR-TRE-4f39ef4a-32
0.233
MAK-UNK-10799360-26
0.232
MAR-TRE-e86a56b5-2
0.232
CHA-KIN-45d1307a-3
0.232
MAK-UNK-c44f4be0-7
0.231
MAR-TRE-4f39ef4a-24
0.231
MAR-TRE-e86a56b5-74
0.230
MAR-TRE-85681e92-46
0.230
MAR-TRE-e86a56b5-86
0.230
MAK-UNK-c44f4be0-11
0.228
MAR-TRE-9d18ae8c-14
0.228
MAR-TRE-e86a56b5-40
0.227
CHA-KIN-7308df58-2
0.227
MAR-TRE-85681e92-74
0.225
MAR-TRE-92684b97-47
0.225
MAR-TRE-4f39ef4a-41
0.224
MED-COV-4280ac29-2
0.224