Molecular Properties | |
SMILES: | CC(C)C[C@H](NC(=O)OCc1cccc(F)c1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(=O)(=O)O |
MW: | 503.17 |
Fraction sp3: | 0.57 |
HBA: | 7 |
HBD: | 5 |
Rotatable Bonds: | 11 |
TPSA: | 171.13 |
cLogP: | 0.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Sulfonic acid
carbamate, CBZ Protected
carbamate include di-substitued N
S/PO3 groups
Sulfonic acid
Long aliphatic chain
Dipeptide
sulphates
JOH-MSK-46727e7b-1
0.758
NIC-UNK-21c5e845-1
0.650
NIC-UNK-21c5e845-2
0.650
NIC-UNK-21c5e845-4
0.616
JOH-MSK-8ad0fd05-1
0.510
OLE-CAR-5b17bec5-8
0.381
OLE-CAR-5b17bec5-9
0.368
YUN-WES-58b0dbae-8
0.359
YUN-WES-64c64eb2-6
0.359
YUN-WES-58b0dbae-1
0.347
OLE-CAR-5b17bec5-10
0.341
ALP-POS-c59291d4-7
0.339
YUN-WES-64c64eb2-2
0.336
YUN-WES-58b0dbae-7
0.336
YUN-WES-64c64eb2-5
0.336
YUN-WES-58b0dbae-10
0.333
YUN-WES-64c64eb2-3
0.333
JAN-GHE-86445305-2
0.333
YUN-WES-58b0dbae-9
0.331
YUN-WES-64c64eb2-4
0.331
SIM-TAK-0ea87db9-1
0.326
YUN-WES-58b0dbae-2
0.321
YUN-WES-64c64eb2-1
0.321
YUN-WES-58b0dbae-3
0.321
YUN-WES-58b0dbae-6
0.319
YUN-WES-85ecc354-1
0.319
MAR-LAB-ff9967db-1
0.317
JIM-PRI-216d613d-1
0.310
JIA-UNI-9972d268-2
0.308
MAT-POS-bfefc3ea-3
0.308
FAR-UNI-124f5ee8-1
0.306
YUN-WES-58b0dbae-5
0.306
JAN-GHE-f375bf5b-1
0.300
MAR-LAB-ff9967db-2
0.299
YUN-WES-58b0dbae-4
0.296
PRA-FNM-579d1514-1
0.291
JIA-UNI-9972d268-1
0.291
DAV-SYG-f22c749d-9
0.286
HUB-UNK-9845d277-12
0.279
HUB-UNK-9845d277-11
0.275
DAV-SYG-f22c749d-12
0.270
HUB-UNK-9845d277-8
0.270
HUB-UNK-9845d277-10
0.269
HUB-UNK-9845d277-9
0.268
ALP-POS-e980f4ea-13
0.267
ALP-POS-e980f4ea-22
0.267
FAR-UNI-a04c1544-1
0.266
HUB-UNK-9845d277-7
0.262
ALP-POS-e980f4ea-3
0.259
ALP-POS-e980f4ea-23
0.259
JOO-IND-9269dfbd-2
0.258
ALP-POS-e980f4ea-17
0.257
DAV-SYG-f22c749d-6
0.257
BAR-COM-4e090d3a-19
0.254
HUB-UNK-9845d277-6
0.254
MIC-UNK-8686cf1d-9
0.252
ALP-POS-e980f4ea-5
0.252
DAV-SYG-f22c749d-7
0.252
ALP-POS-e980f4ea-2
0.250
ALP-POS-e980f4ea-66
0.250
ALP-POS-02c6a514-51
0.248
ALP-POS-e980f4ea-14
0.246
ALP-POS-95f71980-32
0.245
HUB-UNK-9845d277-5
0.245
BRU-THA-92256091-83
0.245
ALP-POS-e980f4ea-29
0.245
ALP-POS-e980f4ea-45
0.245
ALP-POS-e980f4ea-31
0.243
DAV-SYG-f22c749d-10
0.243
ALP-POS-e980f4ea-43
0.243
ALP-POS-e980f4ea-56
0.243
ALP-POS-e980f4ea-6
0.243
ALP-POS-305f6ec3-52
0.243
BRU-THA-92256091-9
0.243
BRU-THA-92256091-13
0.243
BRU-THA-92256091-2
0.243
JIG-UNK-11bede03-1
0.243
ALP-POS-e980f4ea-54
0.242
MAT-POS-c0143b99-1
0.242
ALP-POS-e980f4ea-7
0.242
BAR-COM-4e090d3a-63
0.242
ALP-POS-95f71980-34
0.241
ALP-POS-e980f4ea-61
0.241
ALP-POS-e980f4ea-42
0.241
ALP-POS-e980f4ea-55
0.239
ALP-POS-305f6ec3-16
0.239
SAD-SAT-c989feaa-1
0.239
BRU-THA-92256091-14
0.239
ALP-POS-e980f4ea-63
0.239
ALP-POS-e980f4ea-9
0.239
MIC-UNK-42806bd5-1
0.238
ALP-POS-90e38439-2
0.238
MAT-POS-500ca5bf-2
0.238
ALP-POS-e980f4ea-40
0.237
ALP-POS-b0bc6a46-4
0.237
ALP-POS-02c6a514-4
0.237
ALP-POS-305f6ec3-6
0.237
ALP-POS-95f71980-9
0.237
ALP-POS-e980f4ea-64
0.237
ALP-POS-e980f4ea-26
0.236