Molecular Properties | |
SMILES: | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)O |
MW: | 530.71 |
Fraction sp3: | 0.69 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 15 |
TPSA: | 137.49 |
cLogP: | 3.6158 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
ALE-HEI-f28a35b5-9
ABH-HOE-1cbf6cd9-4
0.312
JUS-UNI-57125a42-1
0.306
PRA-FNM-579d1514-1
0.287
DAV-SYG-f22c749d-3
0.276
NIC-UNK-21c5e845-4
0.274
PRA-UNK-95a569ae-1
0.273
OLE-CAR-5b17bec5-8
0.255
FAR-UNI-124f5ee8-1
0.254
PAU-UNI-6d15a9f5-4
0.253
OLE-CAR-5b17bec5-10
0.250
OLE-CAR-5b17bec5-9
0.250
PAU-UNI-6d15a9f5-5
0.250
YIA-UNI-71f25a82-2
0.248
MAK-UNK-f2409524-28
0.248
NIC-UNK-21c5e845-1
0.244
ADA-UCB-dc2b944c-2
0.244
MIC-UNK-c66144cb-3
0.244
ALP-POS-3b848b35-4
0.244
DAV-SYG-f22c749d-5
0.243
SHA-THE-408e7524-8
0.242
PAU-UNI-6d15a9f5-6
0.241
ALP-POS-3fc1724e-5
0.237
NIC-UNK-21c5e845-2
0.235
DAV-SYG-f22c749d-11
0.233
ALP-POS-3fc1724e-7
0.233
MAR-TRE-e86a56b5-47
0.232
PET-SGC-f913cec9-2
0.232
MAT-POS-53907a1c-2
0.231
AAR-POS-d2a4d1df-12
0.231
PAU-UNI-6d15a9f5-7
0.230
DAV-SYG-f22c749d-1
0.230
TRY-UNI-714a760b-10
0.229
EDG-MED-0da5ad92-4
0.229
ALE-HEI-f28a35b5-6
0.229
JAN-GHE-f375bf5b-1
0.228
NAM-UNK-f7c77a48-2
0.228
MAT-POS-bfefc3ea-3
0.228
MAT-POS-136e7878-1
0.228
ARI-TAT-5792557e-28
0.227
MAR-TRE-4f781e27-39
0.226
NIM-UNI-bb9030bf-10
0.226
JOH-MSK-8ad0fd05-1
0.226
JOH-MSK-46727e7b-1
0.225
MAR-TRE-e86a56b5-64
0.224
NIC-UNK-21c5e845-3
0.224
SID-ELM-2583a2cd-12
0.223
ADA-UCB-dc2b944c-17
0.223
JOR-UNI-61e7b1d5-19
0.223
ADA-UCB-dc2b944c-3
0.223
DAR-DIA-1d7f034a-1
0.222
YUN-WES-58b0dbae-1
0.222
MAR-UCB-ad2ff052-3
0.222
SAL-INS-a5f8a8b9-2
0.222
MAR-TRE-9d18ae8c-80
0.221
MAR-TRE-85681e92-91
0.221
EDJ-MED-c314995a-1
0.220
VLA-UCB-05e51b3f-14
0.220
MAT-POS-53907a1c-3
0.220
MIC-UNK-ea979c74-4
0.220
NIC-BIO-a68395b7-1
0.219
JUA-UNI-b93289a4-6
0.219
SKY-OHS-790853a8-1
0.219
MAT-POS-136e7878-2
0.219
MAK-UNK-f2409524-26
0.218
AAR-POS-fca48359-12
0.218
FAR-UNI-9a76d7b5-1
0.218
SAL-INS-a5f8a8b9-1
0.218
SID-ELM-2583a2cd-21
0.217
SHA-THE-408e7524-23
0.217
PRA-UNK-c22cca29-1
0.217
ALP-POS-3fc1724e-8
0.217
MAK-UNK-194150d3-11
0.217
RAY-UNI-5365d7e5-1
0.216
MAR-TRE-74c6519b-57
0.216
VLA-UCB-50c39ae8-9
0.216
VLA-UCB-05e51b3f-12
0.216
YUN-WES-58b0dbae-5
0.216
SHA-THE-408e7524-7
0.215
STE-KUL-d79e3d6a-4
0.215
SID-ELM-2583a2cd-19
0.215
ALF-EVA-650655fc-5
0.215
VOL-CHA-d666e5ae-4
0.214
FAR-UNI-a04c1544-1
0.214
YUN-WES-64c64eb2-6
0.214
YUN-WES-58b0dbae-8
0.214
JAN-GHE-76def03c-1
0.214
PET-UNK-a17c93d1-1
0.214
MAK-UNK-f2409524-30
0.214
MAR-TRE-e86a56b5-31
0.214
GIA-UNK-d2defdc3-2
0.214
YUN-WES-58b0dbae-4
0.213
JOR-UNI-2fc98d0b-12
0.213
TRY-UNI-714a760b-16
0.213
CHA-KIN-ceadbd93-2
0.213
MAR-TRE-e86a56b5-17
0.213
YUN-WES-64c64eb2-5
0.212
PRA-UNK-35958606-1
0.212
CHA-KIN-ceadbd93-6
0.212
MAK-UNK-f2409524-19
0.212
SAN-PRS-52b81272-1
0.212