Molecular Properties | |
SMILES: | Cc1ccnc(CNC(=O)NC(c2cccc(F)c2)c2cccc(Cl)c2)c1 |
MW: | 383.12 |
Fraction sp3: | 0.14 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 4.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_2708____10547030____7049928 |
AAR-POS-d2a4d1df-1
WIL-LEE-1f71e281-3
0.352
MAR-TRE-92684b97-16
0.303
MAR-TRE-92684b97-18
0.293
MED-COV-4280ac29-7
0.292
WIL-UNI-1faa9b10-31
0.284
DAV-CRI-3edb475e-4
0.282
AAR-POS-0daf6b7e-10
0.282
MAT-POS-c0143b99-1
0.282
MIC-UNK-8686cf1d-9
0.282
EDG-MED-0da5ad92-5
0.278
DAV-CRI-3edb475e-5
0.278
WIL-UNI-1faa9b10-6
0.276
JON-UIO-066ce08b-14
0.274
BAR-COM-0f94fc3d-55
0.274
ALP-POS-1245c3fa-2
0.273
ADA-UNI-f8e79267-10
0.272
WIL-UNI-1faa9b10-9
0.270
SAM-UNK-2684b532-5
0.270
ALP-POS-ddb41b15-8
0.269
EDJ-MED-49816e9b-2
0.269
ALP-POS-02c6a514-15
0.268
ALP-POS-b0bc6a46-9
0.268
MAK-UNK-f203cb68-20
0.268
WIL-UNI-1faa9b10-11
0.267
JOH-IMS-1436231f-5
0.267
JON-UIO-066ce08b-7
0.266
JAN-GHE-83b26c96-9
0.265
ADA-UNI-f8e79267-11
0.265
PET-UNK-48ab5cd7-4
0.264
MAK-UNK-f203cb68-13
0.264
MAK-UNK-f203cb68-11
0.263
JAN-GHE-83b26c96-6
0.263
JAN-GHE-83b26c96-7
0.263
GIA-UNK-4de5abb1-4
0.263
TRY-UNI-9f475305-3
0.262
SAM-UNK-2684b532-3
0.262
WIL-LEE-1f71e281-7
0.261
MIC-UNK-8686cf1d-3
0.260
SAM-UNK-2684b532-7
0.258
MIC-UNK-8686cf1d-5
0.258
PAU-WEI-b9b69149-3
0.257
MAK-UNK-f203cb68-2
0.257
MAK-UNK-f203cb68-3
0.257
PET-UNK-158bee2a-3
0.255
TRY-UNI-2eddb1ff-5
0.255
JAN-GHE-83b26c96-5
0.255
JAN-GHE-83b26c96-4
0.255
MAR-TRE-66ac689e-68
0.255
TRY-UNI-2eddb1ff-4
0.255
TRY-UNI-714a760b-18
0.255
EDJ-MED-c8e7a002-10
0.255
MAK-UNK-f203cb68-1
0.255
AUS-ARG-7cfdce8f-12
0.254
RYA-UNI-f4a878f6-1
0.254
ALP-POS-ced8ea4d-7
0.254
MIC-UNK-8686cf1d-1
0.254
MED-COV-4280ac29-6
0.253
JOK-SYG-a0b0bf84-1
0.253
WIL-LEE-1f71e281-4
0.253
JAN-GHE-83b26c96-1
0.253
TRY-UNI-1fd04853-9
0.252
EDJ-MED-b24713dc-1
0.252
JAN-GHE-83b26c96-8
0.252
SAM-UNK-2684b532-1
0.252
EDJ-MED-cf4b0d25-4
0.252
MAK-UNK-f203cb68-4
0.252
MIC-UNK-c66144cb-1
0.252
ALP-POS-e980f4ea-27
0.252
ALP-POS-e980f4ea-67
0.252
ALP-POS-e980f4ea-34
0.252
TRY-UNI-9f475305-8
0.250
KHR-WEI-75c61062-1
0.250
EDG-MED-0da5ad92-15
0.250
ADA-UNI-f8e79267-7
0.250
MAR-LAB-ca4662a6-4
0.250
ALP-POS-ced8ea4d-48
0.250
RIT-UNK-fa3975ff-1
0.250
AAR-UNI-c25c2f1e-98
0.250
MIC-UNK-8686cf1d-4
0.250
ALP-POS-1245c3fa-1
0.248
BRU-THA-92256091-11
0.248
RYA-UNI-c3f66fb2-1
0.248
MAK-UNK-f203cb68-12
0.248
BAR-COM-ebf5acce-10
0.248
JAN-GHE-f4ca5a00-19
0.248
DAV-CRI-25b90884-4
0.248
JAN-GHE-83b26c96-2
0.248
DAV-CRI-25b90884-1
0.248
JAN-GHE-83b26c96-10
0.248
EDG-MED-0da5ad92-18
0.247
JOH-IMS-1436231f-3
0.247
ALP-POS-ced8ea4d-60
0.246
MIC-UNK-8686cf1d-7
0.246
ALP-POS-02c6a514-3
0.246
ALP-POS-b0bc6a46-3
0.246
ALP-POS-02c6a514-36
0.246
ALP-POS-b0bc6a46-21
0.246
ALP-POS-ced8ea4d-27
0.246
ALP-POS-e980f4ea-28
0.246
JOH-UNI-6fede743-5
0.245