Molecular Properties | |
SMILES: | CS(=O)(=O)Cc1c[nH]c2c(C(Nc3cccnc3)C(=O)Nc3ccncc3)cc(F)cc12 |
MW: | 453.499 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 116.84 |
cLogP: | 3.4335 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TAM-UNI-c140e31a-22
0.717
TAM-UNI-c140e31a-20
0.388
ASH-UNK-40b46b30-7
0.380
TAM-UNI-c140e31a-2
0.355
TAM-UNI-c140e31a-3
0.342
KEI-TRE-d5e2018a-55
0.330
KEI-TRE-d5e2018a-25
0.320
KEI-TRE-d5e2018a-42
0.314
KEI-TRE-d5e2018a-29
0.308
DRE-WAB-ae4a693c-1
0.304
PET-SGC-d0156db4-1
0.304
BEN-DND-362d364a-12
0.304
PET-SGC-b0f8bd49-1
0.304
KEI-TRE-d5e2018a-24
0.302
WAR-XCH-e55cba98-3
0.300
KEI-TRE-d5e2018a-80
0.296
KEI-TRE-d5e2018a-34
0.296
ADA-UNI-f8e79267-2
0.295
KEI-TRE-d5e2018a-16
0.294
JOH-IMS-62aeb97d-2
0.292
KEI-TRE-d5e2018a-81
0.291
ASH-UNK-40b46b30-3
0.291
ANT-DIA-3c79be55-4
0.290
KEI-TRE-d5e2018a-19
0.290
ADA-UNI-f8e79267-8
0.288
PET-SGC-1c3a473d-1
0.288
MAR-TRE-4b834d9a-16
0.287
KEI-TRE-d5e2018a-7
0.287
KEI-TRE-d5e2018a-43
0.287
ADA-UNI-f8e79267-7
0.286
ZAC-WAB-3baddbb3-1
0.284
ZAC-WAB-d55a3c2e-2
0.284
ADA-UNI-f8e79267-10
0.284
JIA-UNI-12b1f9ae-1
0.284
MAK-UNK-a7b37c5e-5
0.284
NAU-LAT-81109c57-7
0.283
PET-SGC-f818f65b-1
0.283
SIM-DEM-265738e1-1
0.283
SAM-UNK-903735bd-2
0.283
TAM-UNI-c140e31a-15
0.283
ELE-IMP-dfb36048-1
0.283
MAK-UNK-37f1d6fa-6
0.282
NAU-LAT-445f63e5-2
0.281
ADA-UNI-f8e79267-1
0.280
MAR-TRE-7f7bb9f0-56
0.280
ISA-SCH-8e98219b-1
0.280
WAR-XCH-6eb0722e-5
0.279
ADA-UNI-f8e79267-4
0.279
KEI-TRE-d5e2018a-17
0.279
JOK-SYG-b7365cd7-1
0.278
MAR-TRE-2fd8122f-52
0.277
SAD-SAT-135344c3-7
0.277
MAK-UNK-37f1d6fa-7
0.276
DAR-DIA-842b4336-12
0.276
BAR-COM-21d20d65-5
0.275
MAK-UNK-c749d764-9
0.275
KAL-WAB-eb347ebe-1
0.275
MAR-TRE-74c6519b-79
0.274
GAB-REV-4a4e2ff3-7
0.274
MAR-TRE-7f7bb9f0-16
0.274
KEI-TRE-d5e2018a-27
0.274
KEI-TRE-d5e2018a-47
0.273
GAB-REV-4a4e2ff3-14
0.273
DAR-DIA-842b4336-16
0.273
WAR-XCH-6eb0722e-6
0.272
MAR-TRE-04c86cea-97
0.272
SAD-SAT-689b7d5a-4
0.272
KEI-TRE-d5e2018a-69
0.271
KEI-TRE-d5e2018a-40
0.271
ASH-UNK-40b46b30-13
0.271
MAR-TRE-2fd8122f-2
0.271
MAR-TRE-3e4e6814-66
0.270
KEI-TRE-d5e2018a-4
0.270
SAD-SAT-f25ee457-7
0.270
MAK-UNK-009ebe36-2
0.270
KEI-TRE-d5e2018a-95
0.270
MAR-TRE-d0525fbf-92
0.270
GAB-REV-4a4e2ff3-11
0.268
MAK-UNK-37f1d6fa-1
0.268
WIL-UNI-5578df48-1
0.267
MAR-TRE-2fd8122f-79
0.267
MAR-TRE-67513f76-32
0.267
KEI-TRE-d5e2018a-99
0.267
MAR-TRE-2fd8122f-45
0.266
WAR-XCH-6eb0722e-4
0.265
MAK-UNK-2c1752f0-4
0.265
ALP-POS-95f71980-11
0.265
WIL-UNI-5578df48-7
0.265
MAR-TRE-67513f76-81
0.264
RAL-MED-9a5eb9cb-7
0.264
MAR-TRE-2fd8122f-37
0.264
MAK-UNK-de8f6d00-2
0.264
KEI-TRE-d5e2018a-92
0.264
WAR-XCH-6eb0722e-1
0.263
MAR-TRE-67513f76-73
0.262
MAK-UNK-37f1d6fa-4
0.262
ALP-POS-e980f4ea-11
0.262
MAK-UNK-10572812-12
0.262
KEI-TRE-d5e2018a-76
0.261
MIC-UNK-2744a8e2-4
0.261