Molecular Properties | |
SMILES: | CS(=O)(=O)NCc1c[nH]c2c(CC(=O)Nc3ccncc3)cc(F)cc12 |
MW: | 376.413 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 103.95 |
cLogP: | 1.9324 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
TAM-UNI-c140e31a-2
0.650
PET-SGC-1c3a473d-1
0.433
TAM-UNI-c140e31a-21
0.388
SIM-DEM-265738e1-1
0.382
PET-SGC-f818f65b-1
0.382
TAM-UNI-c140e31a-15
0.382
ELE-IMP-dfb36048-1
0.382
SAM-UNK-903735bd-2
0.382
NAU-LAT-0543f7f2-4
0.373
SCO-VAN-260d9628-7
0.355
SCO-VAN-260d9628-8
0.351
SAM-UNK-83e03154-2
0.344
TAM-UNI-c140e31a-22
0.343
NAU-LAT-81109c57-7
0.330
SCO-VAN-260d9628-6
0.327
GIA-UNK-3f36037a-7
0.316
WIL-LEE-1f71e281-6
0.312
ALP-POS-df536be7-1
0.308
GAB-REV-4a4e2ff3-3
0.305
JPB-FNM-6f110b99-1
0.303
JOK-SYG-302da050-2
0.300
NAU-LAT-0543f7f2-3
0.299
NAU-LAT-30527ac5-5
0.299
TAM-UNI-c140e31a-3
0.296
GAB-REV-4a4e2ff3-14
0.296
GAB-REV-4a4e2ff3-8
0.294
BEN-VAN-d8fd1356-21
0.293
JOK-SYG-302da050-1
0.291
STU-CHA-bc0a9883-1
0.291
NAU-LAT-f723e322-1
0.291
DAR-DIA-fb20be43-11
0.291
ASH-UNK-40b46b30-5
0.290
GAB-REV-4a4e2ff3-4
0.288
BEN-VAN-d8fd1356-22
0.284
ASH-UNK-40b46b30-7
0.283
DAR-DIA-23aa0b97-1
0.283
MAK-UNK-be5ffcbc-2
0.283
DAR-DIA-23aa0b97-12
0.281
MAR-TRE-3159af1a-33
0.281
GAB-REV-4a4e2ff3-15
0.280
MAK-UNK-be5ffcbc-4
0.280
GAB-REV-4a4e2ff3-1
0.279
SAM-UNK-903735bd-1
0.277
GAB-REV-4a4e2ff3-11
0.277
ALP-POS-df536be7-3
0.276
ALP-POS-6479a3a9-2
0.276
NIR-THE-0d6461ce-2
0.274
ROB-UNI-b2e39629-2
0.273
CUN-WAB-25b584ee-2
0.273
NAU-LAT-30527ac5-4
0.272
GAB-REV-4a4e2ff3-21
0.272
ALP-POS-df536be7-5
0.272
KAL-WAB-eb347ebe-1
0.272
HAN-NEW-5f56c3bc-2
0.271
GAB-REV-4a4e2ff3-10
0.270
MAR-TRE-7f7bb9f0-83
0.269
BEN-DND-362d364a-8
0.268
ROB-UNI-b2e39629-4
0.268
ELE-IMP-dfb36048-5
0.264
NAU-LAT-f723e322-2
0.264
GAB-REV-4a4e2ff3-6
0.262
EDJ-MED-49816e9b-1
0.261
MAK-UNK-be5ffcbc-9
0.261
DUN-NEW-f8ce3686-10
0.260
CAL-AMP-9edebd8f-1
0.260
ELE-IMP-dfb36048-2
0.260
RAL-THA-6b94ceba-12
0.260
ABI-SAT-30e287c1-2
0.258
SAM-UNK-83e03154-3
0.258
BEN-VAN-d8fd1356-14
0.257
SAM-UNK-83e03154-1
0.257
MAD-FNM-74857450-1
0.257
MAR-TRE-3159af1a-18
0.257
NAU-LAT-81109c57-3
0.257
DUN-NEW-f8ce3686-4
0.257
MAK-UNK-ec98eaf6-33
0.257
RAM-SYN-2a37ce6c-3
0.257
MAR-TRE-66ac689e-30
0.255
MAK-UNK-a7b37c5e-5
0.253
DAR-DIA-03336633-15
0.253
MAR-TRE-6a44bbf2-3
0.253
PET-SGC-d0156db4-2
0.253
DAR-DIA-23aa0b97-2
0.252
GAB-REV-4a4e2ff3-5
0.252
GAB-REV-4a4e2ff3-20
0.252
NAU-LAT-30527ac5-6
0.252
WAR-XCH-e55cba98-2
0.252
JOK-SYG-b7365cd7-1
0.250
MIC-UNK-66895286-3
0.250
JUL-TUD-06b2044f-99
0.250
GAB-REV-4a4e2ff3-7
0.250
BEN-VAN-d8fd1356-16
0.250
GAB-REV-4a4e2ff3-18
0.250
ALP-POS-df536be7-2
0.248
ORN-MSD-5b974918-1
0.248
MAR-TRE-9d18ae8c-62
0.248
NAU-LAT-81109c57-5
0.248
BEN-VAN-d8fd1356-15
0.248
NAU-LAT-3f5f3993-8
0.247
DAR-DIA-eace69ff-32
0.247