Molecular Properties | |
SMILES: | CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O |
MW: | 1,268.64 |
Fraction sp3: | 0.51 |
HBA: | 16 |
HBD: | 17 |
Rotatable Bonds: | 31 |
TPSA: | 495.89 |
cLogP: | -3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
imine
imine
Oxygen-nitrogen single bond
Singel acyclic N-N bonds
Filter20_hydrazine
acyl hydrazine
Long aliphatic chain
Hetero_hetero
hydrazine
Dipeptide
SHA-THE-408e7524-16
0.626
TIM-UNK-bcd886f8-1
0.352
SAL-INS-68b48d12-10
0.352
SAL-INS-68b48d12-6
0.351
PRA-UNK-35958606-1
0.314
SAL-INS-68b48d12-9
0.312
PRA-UNK-c22cca29-1
0.312
SAL-INS-68b48d12-8
0.311
SAL-INS-68b48d12-5
0.309
BUG-UNK-6d12595f-1
0.307
YIA-UNI-71f25a82-2
0.273
SAL-INS-68b48d12-7
0.261
PRA-UNK-95a569ae-1
0.261
BRU-UNI-248b30bc-8
0.257
JUS-UNI-57125a42-1
0.255
SHA-THE-408e7524-15
0.255
MAR-TRE-74c6519b-79
0.253
SHA-THE-408e7524-14
0.251
NIC-BIO-3276ca7f-7
0.247
NIC-BIO-3276ca7f-2
0.246
SHA-THE-408e7524-8
0.244
SHA-THE-408e7524-17
0.244
MAR-TRE-4f781e27-69
0.243
MAR-TRE-4f781e27-6
0.242
NJA-MAN-b9fb953f-5
0.236
SAL-INS-68b48d12-12
0.234
YIA-UNI-71f25a82-1
0.234
SHA-THE-408e7524-23
0.233
SHA-THE-408e7524-7
0.225
SAL-INS-68b48d12-4
0.223
SER-UNI-400afb01-4
0.223
MAR-TRE-f6f5f473-6
0.221
MAR-TRE-f5c2d31c-47
0.220
CHA-KIN-87c379ac-2
0.216
MAR-TRE-4f39ef4a-9
0.216
SAL-INS-a5f8a8b9-2
0.212
CHA-KIN-bfe9b535-3
0.212
MAK-UNK-10799360-26
0.211
MAR-TRE-e86a56b5-36
0.210
ABH-HOE-1cbf6cd9-2
0.210
BRU-UNI-248b30bc-41
0.209
WIL-UNI-1faa9b10-29
0.208
JAN-GHE-86445305-3
0.208
CHA-KIN-bfe9b535-4
0.207
SAL-INS-68b48d12-11
0.206
CUN-WAB-25b584ee-1
0.205
NIM-UNI-ed9fc491-3
0.205
PAU-UNI-6d15a9f5-6
0.205
MAK-UNK-a7992eb3-25
0.205
RED-RED-10c9212c-33
0.204
LON-WEI-4d77710c-20
0.204
LON-WEI-5e7d1b3e-20
0.204
CHA-KIN-7308df58-1
0.204
MAR-TRE-85681e92-33
0.203
MAR-UCB-195bc32d-18
0.202
BRU-UNI-248b30bc-19
0.202
SAL-INS-68b48d12-2
0.201
SUN-WAB-e274cdaf-1
0.201
EDJ-MED-ee07cf00-2
0.201
ADA-UCB-6c2cb422-8
0.200
CHA-KIN-7308df58-3
0.200
NIC-BIO-3276ca7f-5
0.200
FAR-UNI-124f5ee8-1
0.199
OLE-CAR-5b17bec5-9
0.198
ARI-TAT-5792557e-25
0.198
STE-KUL-d79e3d6a-4
0.197
EDJ-MED-ee07cf00-15
0.197
MAR-TRE-36bf7dba-27
0.197
MAR-TRE-3159af1a-16
0.197
NIC-BIO-a68395b7-1
0.197
PAU-UNI-6d15a9f5-4
0.197
CHA-KIN-87c379ac-1
0.196
NIC-UNK-21c5e845-3
0.196
MAR-TRE-36bf7dba-21
0.196
JOH-MSK-46727e7b-1
0.196
JOH-MSK-8ad0fd05-1
0.196
MAK-UNK-c44f4be0-10
0.196
RED-RED-10c9212c-42
0.196
SEL-UNI-49ab05bd-6
0.195
MAR-TRE-3159af1a-70
0.194
DAR-DIA-9e4459de-3
0.194
MAR-TRE-4f39ef4a-5
0.194
EDJ-MED-cf4b0d25-1
0.193
JAN-GHE-f375bf5b-1
0.193
NIM-UNI-ed9fc491-4
0.193
NIM-UNI-ed9fc491-2
0.193
EDJ-MED-ee07cf00-14
0.193
PET-UNK-1320d94d-6
0.192
PET-UNK-1320d94d-5
0.192
CHA-KIN-bfe9b535-2
0.192
ADA-UCB-6c2cb422-11
0.192
YUN-WES-64c64eb2-4
0.192
KAD-UNI-8a629cb0-30
0.192
YUN-WES-58b0dbae-9
0.192
AAR-UNI-c25c2f1e-26
0.192
KAD-UNI-8a629cb0-20
0.192
MAR-TRE-2fd8122f-16
0.192
MAR-TRE-e86a56b5-19
0.191
YUN-WES-58b0dbae-10
0.191
YUN-WES-64c64eb2-3
0.191