Molecular Properties | |
SMILES: | NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)N1CCOCC1 |
MW: | 550.23 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 141.07 |
cLogP: | 1.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2931696298 |
MolPort: | MolPort-001-755-778 |
AAR-POS-d2a4d1df-1
WIL-UNI-1faa9b10-29
0.328
MAR-TRE-4f781e27-69
0.322
MAR-TRE-f5c2d31c-47
0.322
NIC-BIO-3276ca7f-7
0.319
NIC-BIO-3276ca7f-2
0.317
CAR-INS-33b3c115-1
0.312
MAR-TRE-4f781e27-6
0.309
AAR-UNI-c25c2f1e-34
0.308
MAR-TRE-74c6519b-79
0.304
SAL-INS-68b48d12-10
0.304
YIA-UNI-71f25a82-2
0.301
SAL-INS-68b48d12-8
0.298
NJA-MAN-b9fb953f-5
0.294
MAK-UNK-10572812-2
0.292
MAR-UCB-195bc32d-18
0.290
MAR-TRE-4f39ef4a-9
0.288
SAL-INS-68b48d12-6
0.287
SAL-INS-68b48d12-7
0.284
ALP-POS-8ed8d9ec-6
0.284
CUN-WAB-25b584ee-1
0.282
YIA-UNI-71f25a82-1
0.281
SAL-INS-68b48d12-9
0.281
NIM-UNI-310206f0-31
0.279
SAD-SAT-1f400d17-10
0.278
MAR-UCB-195bc32d-9
0.276
GIA-UNK-995df016-15
0.276
MAR-TRE-4f39ef4a-5
0.274
SUN-WAB-e274cdaf-1
0.271
NIM-UNI-310206f0-49
0.270
SAL-INS-68b48d12-5
0.269
SAN-PRS-3c4a6997-2
0.268
FEL-WAB-fb168420-2
0.262
MAR-TRE-85681e92-33
0.260
AAR-UNI-c25c2f1e-29
0.260
MAR-TRE-fd17a9b8-18
0.259
RED-RED-10c9212c-33
0.258
SHA-THE-408e7524-12
0.257
MAK-UNK-10572812-6
0.257
BEN-DND-7e92b6ca-15
0.256
MAK-UNK-be5ffcbc-7
0.256
ANT-OPE-ab37bd51-2
0.254
MAR-TRE-799db12b-12
0.254
SHA-THE-408e7524-16
0.254
CUN-WAB-25b584ee-2
0.252
MAK-UNK-10799360-19
0.252
MAR-TRE-f6f5f473-6
0.252
MAK-UNK-be5ffcbc-4
0.250
MAT-POS-162a9720-8
0.250
BRU-UNI-248b30bc-12
0.248
MAR-TRE-fd17a9b8-25
0.247
RED-RED-10c9212c-42
0.246
MAR-TRE-36bf7dba-27
0.245
ORN-MSD-5b974918-1
0.244
NAU-LAT-81109c57-4
0.244
TAM-UNI-d1c3dd9f-21
0.244
MAR-UCB-195bc32d-22
0.243
MAR-TRE-3159af1a-21
0.243
NIC-BIO-ec630548-3
0.242
MAR-TRE-fd17a9b8-29
0.242
TAM-UNI-d1c3dd9f-12
0.242
IAN-BAS-8ad3d156-1
0.241
MAT-POS-ea426761-94
0.241
SAD-SAT-f25ee457-2
0.241
MAK-UNK-10572812-7
0.240
NAU-LAT-f723e322-2
0.239
FEL-WAB-fb168420-3
0.235
NIC-BIO-ec630548-4
0.235
MAR-TRE-85681e92-64
0.234
MAR-TRE-fd17a9b8-10
0.233
MAK-UNK-be5ffcbc-3
0.233
DAR-DIA-8e329c92-8
0.233
MAR-TRE-85681e92-53
0.233
MAR-TRE-36bf7dba-26
0.232
NAU-LAT-f723e322-1
0.231
DAR-DIA-fb20be43-11
0.231
STU-CHA-bc0a9883-1
0.231
JOK-SYG-302da050-1
0.231
MAK-UNK-10572812-9
0.231
MAR-TRE-be9ff7d2-10
0.231
JON-UNI-57097b3f-6
0.230
BEN-DND-76ad4ac9-4
0.229
AAR-UNI-c25c2f1e-26
0.229
SAD-SAT-c989feaa-10
0.228
NIC-BIO-b40446ce-2
0.228
AAR-UNI-c25c2f1e-73
0.227
MAR-TRE-b77b7921-67
0.227
BEN-DND-7e92b6ca-14
0.227
MAR-TRE-85681e92-68
0.227
ALP-POS-8ed8d9ec-2
0.226
MAR-TRE-85681e92-69
0.226
MAR-TRE-36bf7dba-21
0.225
JOH-MSK-a63bdd1d-10
0.225
MAK-UNK-10572812-8
0.225
GIA-UNK-d2defdc3-6
0.225
MAT-POS-2db6411e-1
0.225
MAR-TRE-85681e92-60
0.225
AAR-UNI-c25c2f1e-72
0.225
DAR-DIA-caba39e3-13
0.224
PAT-GYR-359dbb24-4
0.223
MAR-TRE-fd17a9b8-35
0.223