Molecular Properties | |
SMILES: | NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
MW: | 237.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 118.44 |
cLogP: | -1.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source |
Long aliphatic chain
MAR-TRE-e86a56b5-62
0.696
MAR-TRE-e86a56b5-58
0.652
MAR-TRE-e86a56b5-69
0.556
MAR-TRE-e86a56b5-45
0.500
MAR-TRE-e86a56b5-36
0.492
MAR-TRE-fffca54f-96
0.471
MAR-TRE-e86a56b5-63
0.471
MAR-TRE-e86a56b5-47
0.455
MAR-TRE-e86a56b5-55
0.435
MAR-TRE-e86a56b5-31
0.431
VOL-CHA-d666e5ae-1
0.397
MAR-TRE-e86a56b5-46
0.397
MAR-TRE-e86a56b5-67
0.393
MAR-TRE-85681e92-51
0.393
MAR-TRE-e86a56b5-73
0.391
MAR-TRE-e86a56b5-66
0.387
MAR-TRE-85681e92-70
0.383
AAR-POS-d2a4d1df-16
0.375
MAR-TRE-e86a56b5-98
0.373
MAR-TRE-e86a56b5-99
0.368
NIC-BIO-a68395b7-2
0.368
VOL-CHA-d666e5ae-2
0.368
NIC-BIO-a68395b7-3
0.364
NIC-BIO-a68395b7-5
0.364
MAR-TRE-e86a56b5-19
0.364
TRY-UNI-9f475305-11
0.362
TRY-UNI-9f475305-10
0.361
MAR-TRE-e86a56b5-81
0.361
NIC-BIO-a68395b7-4
0.357
MAR-TRE-4f39ef4a-25
0.356
ABH-HOE-1cbf6cd9-2
0.355
MAR-TRE-e86a56b5-28
0.354
MAR-TRE-e86a56b5-97
0.347
VOL-CHA-d666e5ae-3
0.343
VOL-CHA-d666e5ae-4
0.343
VOL-CHA-d666e5ae-5
0.333
NIM-UNI-ed9fc491-1
0.333
NIC-BIO-a68395b7-1
0.329
MAR-TRE-e86a56b5-39
0.328
MAR-TRE-e86a56b5-11
0.323
MAK-UNK-f983951f-22
0.322
MAR-TRE-ebcc4ad6-35
0.320
MAR-TRE-e86a56b5-5
0.319
MAR-TRE-e86a56b5-50
0.318
MAK-UNK-c44f4be0-8
0.318
MAR-TRE-e86a56b5-84
0.315
MAR-TRE-4f39ef4a-52
0.314
NIM-UNI-ed9fc491-2
0.312
MAK-UNK-c44f4be0-14
0.309
MAR-TRE-e86a56b5-6
0.308
MAR-TRE-e86a56b5-15
0.308
MAR-TRE-e86a56b5-21
0.308
MAR-TRE-e86a56b5-77
0.306
CHA-KIN-7308df58-2
0.303
MAR-TRE-e86a56b5-37
0.303
MAK-UNK-c44f4be0-9
0.301
MAK-UNK-c44f4be0-10
0.300
MAR-TRE-4f39ef4a-40
0.299
MAK-UNK-c44f4be0-7
0.298
CHA-KIN-45d1307a-3
0.295
MAR-TRE-e86a56b5-83
0.295
MAK-UNK-c44f4be0-11
0.294
CHA-KIN-bfe9b535-8
0.292
NIM-UNI-ed9fc491-3
0.289
MAR-UCB-195bc32d-14
0.286
CHA-KIN-45d1307a-2
0.283
CHA-KIN-7308df58-3
0.283
MAK-UNK-9955b1f3-11
0.281
MAK-UNK-c44f4be0-3
0.281
MAR-TRE-9d18ae8c-20
0.280
MAR-TRE-e86a56b5-64
0.279
MAK-UNK-c44f4be0-4
0.278
CHA-KIN-bfe9b535-1
0.278
CHA-KIN-bfe9b535-5
0.274
MAR-TRE-e86a56b5-34
0.273
SHA-THE-408e7524-23
0.273
NIM-UNI-ed9fc491-4
0.270
MAR-TRE-aca67d11-66
0.268
MAK-UNK-10799360-26
0.266
CHA-KIN-45d1307a-1
0.266
CHA-KIN-bfe9b535-6
0.265
MAR-TRE-e86a56b5-25
0.263
CHA-KIN-bfe9b535-2
0.263
CHA-KIN-bfe9b535-9
0.263
SHA-THE-408e7524-9
0.263
MAR-UCB-195bc32d-43
0.262
MAR-TRE-e86a56b5-49
0.262
ABH-HOE-1cbf6cd9-3
0.261
CHA-KIN-7308df58-1
0.260
KEN-ILL-f8fa3277-1
0.260
ABH-HOE-1cbf6cd9-1
0.258
MAR-TRE-e86a56b5-90
0.258
MAR-TRE-e86a56b5-9
0.258
ARI-TAT-5792557e-28
0.257
GIA-UNK-a33ae3bd-1
0.255
CHA-KIN-bfe9b535-4
0.255
CHA-KIN-bfe9b535-7
0.255
CHA-KIN-87c379ac-1
0.255
MAR-TRE-e86a56b5-65
0.255
MAR-TRE-85681e92-74
0.254