Molecular Properties | |
SMILES: | COc1ccc(F)cc1NC(=O)NC(CO)c1cccc(F)c1 |
MW: | 322.11 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 70.59 |
cLogP: | 2.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WIL-UNI-1faa9b10-31
0.519
WIL-UNI-1faa9b10-11
0.500
WIL-UNI-1faa9b10-34
0.493
WIL-UNI-1faa9b10-6
0.390
WIL-UNI-1faa9b10-26
0.372
WIL-UNI-1faa9b10-4
0.333
MAR-TRE-66ac689e-68
0.333
JON-UIO-066ce08b-14
0.333
MAR-LAB-ca4662a6-4
0.303
JON-UIO-066ce08b-7
0.301
WIL-UNI-1faa9b10-44
0.292
BAR-COM-0f94fc3d-3
0.291
DAV-CRI-3edb475e-4
0.289
JAR-KUA-8c13982c-20
0.284
ALP-POS-b0bc6a46-14
0.273
ALP-POS-02c6a514-23
0.273
BAR-COM-0f94fc3d-56
0.270
ADA-UCB-6c2cb422-9
0.269
WIL-UNI-1faa9b10-52
0.269
DAV-CRI-3edb475e-5
0.268
ALP-POS-e980f4ea-40
0.267
ALP-POS-02c6a514-14
0.265
ALP-POS-b0bc6a46-8
0.265
ALP-POS-e980f4ea-50
0.264
MAR-TRE-f5c2d31c-94
0.263
CHA-KIN-bfe9b535-9
0.263
BAR-COM-0f94fc3d-23
0.261
ALP-POS-b0bc6a46-18
0.261
ALP-POS-ced8ea4d-40
0.261
ALP-POS-02c6a514-29
0.261
ALP-POS-e980f4ea-19
0.259
ALP-POS-02c6a514-40
0.259
EDG-MED-0da5ad92-5
0.256
MAR-TRE-be9ff7d2-86
0.256
WIL-UNI-1faa9b10-17
0.253
BRU-THA-92256091-28
0.252
ALP-POS-02c6a514-41
0.250
ALP-POS-b0bc6a46-25
0.250
BRU-THA-92256091-44
0.250
EDJ-MED-bbe8e3da-3
0.250
NIC-BIO-3276ca7f-3
0.250
ALP-POS-e980f4ea-48
0.248
CAS-DEP-751a2458-3
0.247
ADA-UCB-6c2cb422-8
0.245
TAT-ENA-80bfd3e5-36
0.245
MAT-POS-fa06b69f-5
0.245
BEN-DND-93268d01-3
0.244
BRU-THA-92256091-19
0.243
ALP-POS-e980f4ea-52
0.243
ALP-POS-e980f4ea-27
0.243
YUN-WES-64c64eb2-3
0.242
YUN-WES-58b0dbae-10
0.242
WIL-UNI-1faa9b10-15
0.242
MAR-TRE-2fd8122f-45
0.242
DAN-RED-da448e80-5
0.242
ALP-POS-ced8ea4d-48
0.242
WIL-UNI-1faa9b10-42
0.242
WIL-UNI-1faa9b10-45
0.242
JAN-GHE-83b26c96-1
0.242
ALP-POS-02c6a514-37
0.241
ALP-POS-b0bc6a46-22
0.241
KHR-WEI-75c61062-1
0.240
ALP-POS-ced8ea4d-50
0.240
WIL-UNI-1faa9b10-7
0.240
BAR-COM-0f94fc3d-19
0.239
MAR-TRE-a78003aa-9
0.239
GIA-UNK-4de5abb1-4
0.239
MAR-TRE-66ac689e-97
0.239
BAR-COM-0f94fc3d-13
0.239
MAR-TRE-e86a56b5-94
0.239
LON-WEI-5e7d1b3e-1
0.238
LON-WEI-4d77710c-1
0.238
KEI-TRE-d5e2018a-80
0.237
ALP-POS-95b75b4d-1
0.236
WIL-LEE-1f71e281-7
0.235
ALP-POS-02c6a514-25
0.235
ALP-POS-95f71980-22
0.235
MAR-TRE-9d18ae8c-19
0.235
BAR-COM-0f94fc3d-45
0.235
JON-UIO-066ce08b-12
0.235
MAK-UNK-f203cb68-2
0.235
SAM-UNK-2684b532-5
0.234
MAR-TRE-a9136c7b-46
0.234
BRU-THA-92256091-43
0.234
GIA-UNK-7337c2f3-5
0.233
BEN-DND-93268d01-2
0.233
ALP-POS-e980f4ea-44
0.233
ALP-POS-305f6ec3-51
0.233
SAM-UNK-2684b532-7
0.233
MAK-UNK-f203cb68-1
0.233
ALP-POS-e980f4ea-67
0.233
JON-UNI-bb9dc649-11
0.233
MAR-TRE-92684b97-18
0.232
MAR-TRE-fffca54f-1
0.231
MIC-UNK-c66144cb-1
0.231
ALP-POS-e980f4ea-46
0.231
BEN-DND-6de5dfa0-21
0.231
ALP-POS-e980f4ea-51
0.231
ALP-POS-e980f4ea-12
0.231
ALP-POS-e980f4ea-39
0.231