Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)Nc1cccnc1CNC(=O)NC1CC1 |
MW: | 324.16 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 2.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
SIM-DEM-2843056b-3
0.593
SIM-DEM-2843056b-1
0.590
SIM-DEM-2843056b-5
0.590
SIM-DEM-2843056b-6
0.535
MAK-UNK-a7b37c5e-3
0.452
DAR-DIA-03336633-7
0.430
SIM-DEM-2843056b-7
0.424
DAR-DIA-03336633-13
0.409
TRY-UNI-714a760b-5
0.354
DAR-DIA-03336633-14
0.354
MIC-SGC-657978c3-7
0.349
AAR-UNI-c25c2f1e-38
0.344
SAN-PRS-52b81272-2
0.338
RAL-THA-2d450e86-1
0.337
SIM-DEM-2843056b-4
0.330
TRY-UNI-714a760b-2
0.329
MIC-SGC-657978c3-1
0.326
SIM-DEM-2843056b-2
0.323
MAK-UNK-b2c98f02-1
0.323
MIC-SGC-657978c3-5
0.322
RAL-MED-2de63afb-6
0.311
DAR-DIA-03336633-2
0.310
DAR-DIA-03336633-10
0.307
EDG-MED-0da5ad92-14
0.302
AAR-UNI-c25c2f1e-3
0.301
DAR-DIA-03336633-9
0.300
DAR-DIA-03336633-8
0.297
MAR-TRE-04c86cea-6
0.292
AGN-NEW-c7b24fe3-5
0.292
AGN-NEW-c7b24fe3-4
0.292
AGN-NEW-c7b24fe3-3
0.289
AGN-NEW-c7b24fe3-6
0.289
MAK-UNK-d1e89583-6
0.287
MIC-SGC-657978c3-2
0.286
MAR-TRE-f6f5f473-89
0.284
MIC-SGC-657978c3-3
0.284
NAU-LAT-64f4b287-9
0.284
JUL-TUD-06b2044f-157
0.283
HAN-NEW-5f56c3bc-3
0.282
DAR-DIA-03336633-1
0.282
SIM-SYN-a98e6a07-2
0.277
MAK-UNK-f2409524-35
0.276
SID-ELM-8b394441-2
0.276
SID-ELM-8b394441-4
0.276
AGN-NEW-c7b24fe3-1
0.275
MAR-TRE-04c86cea-27
0.273
DAR-DIA-03336633-5
0.272
AGN-NEW-c7b24fe3-2
0.272
MAR-TRE-6a44bbf2-9
0.270
AAR-POS-d2a4d1df-12
0.267
FRA-FAC-9ed5a63a-3
0.267
MAR-TRE-04c86cea-68
0.267
MED-UNK-e6e8ef8a-8
0.267
MAR-TRE-f6f5f473-82
0.267
MAK-UNK-b2c98f02-2
0.267
LON-WEI-1908424e-1
0.267
SID-ELM-8b394441-1
0.265
SID-ELM-8b394441-3
0.265
ANT-DIA-3c79be55-2
0.264
MAR-TRE-3159af1a-14
0.263
MAR-TRE-f6f5f473-35
0.262
AAR-UNI-c25c2f1e-45
0.261
MAR-TRE-7f7bb9f0-68
0.260
MAR-TRE-d0525fbf-78
0.260
PET-SGC-c429dc17-1
0.258
CES-WAB-18e74d70-1
0.258
MAR-TRE-3e4e6814-14
0.257
AAR-POS-0daf6b7e-20
0.256
BEN-DND-61647d40-17
0.256
MAR-TRE-14ce9fd6-1
0.255
NIC-BIO-25446079-1
0.255
MAR-TRE-74c6519b-52
0.255
MAR-TRE-3e4e6814-81
0.255
MAT-POS-90fd5f68-26
0.255
DAR-DIA-03336633-6
0.255
MAR-TRE-423310b6-10
0.253
JOH-UNI-abfda500-7
0.253
CHA-KIN-ceadbd93-6
0.253
AGN-NEW-cce853d0-2
0.253
BAR-COM-0f94fc3d-57
0.253
MAR-TRE-799db12b-51
0.253
MAR-TRE-74c6519b-75
0.252
MAR-TRE-f6f5f473-30
0.252
MAR-TRE-1c920f6f-42
0.250
DRA-CSI-47e38074-3
0.250
IAN-BAS-5ff43d1c-1
0.250
DRA-CSI-47e38074-7
0.250
ALP-POS-95b75b4d-4
0.250
BAR-COM-4e090d3a-15
0.250
MAR-TRE-9c797165-96
0.250
MAR-TRE-3159af1a-73
0.250
MAR-TRE-f6f5f473-94
0.250
MAK-UNK-129dcd6f-18
0.250
MAR-TRE-3e4e6814-53
0.250
JOH-UNI-abfda500-4
0.250
MAR-TRE-f6f5f473-18
0.248
SIM-SYN-a98e6a07-4
0.248
MAK-UNK-f2409524-16
0.248
MAR-TRE-f6f5f473-55
0.248
NIC-BIO-3276ca7f-4
0.248