Molecular Properties | |
SMILES: | O=C(CSc1ncn(-c2ccccc2)n1)Nc1cccc2ccccc12 |
MW: | 360.1 |
Fraction sp3: | 0.05 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 59.81 |
cLogP: | 4.15 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MAR-TRE-14ce9fd6-67
0.443
MAR-TRE-0fda4e82-70
0.421
UNK-UNK-2ede4078-59
0.363
MAR-TRE-f6f5f473-18
0.362
UNK-UNK-2ede4078-20
0.351
MAR-TRE-aca67d11-62
0.347
CLI-TLC-8ef8ff7b-1
0.323
MAR-TRE-f5c2d31c-49
0.304
MAR-TRE-fd17a9b8-78
0.304
RAL-THA-2d450e86-1
0.299
MAR-TRE-f5c2d31c-67
0.297
UNK-UNK-2ede4078-60
0.296
MAR-TRE-a3327163-46
0.292
MAR-TRE-4b834d9a-29
0.291
RAL-THA-2d450e86-38
0.286
RAL-THA-2d450e86-7
0.286
RAL-THA-2d450e86-23
0.284
TAT-ENA-80bfd3e5-19
0.283
MAR-TRE-f5c2d31c-14
0.281
RAL-THA-2d450e86-10
0.277
RAL-THA-2d450e86-39
0.274
BRU-UNI-248b30bc-4
0.273
RAL-THA-2d450e86-36
0.272
WAR-XCH-b6889685-28
0.271
MAR-TRE-3e4e6814-41
0.270
RAL-THA-2d450e86-35
0.269
RAL-THA-2d450e86-19
0.268
MAK-UNK-919546f0-4
0.267
RAL-THA-2d450e86-4
0.266
MAK-UNK-c749d764-11
0.265
DAR-DIA-0cde14eb-47
0.265
DAR-DIA-0cde14eb-49
0.265
MAR-TRE-f5c2d31c-75
0.263
ADA-UCB-6c2cb422-1
0.263
NAU-LAT-a5c7d7cb-1
0.263
ALP-POS-6747fa38-1
0.263
NIR-THE-d08c3b48-1
0.263
BEN-DND-6de5dfa0-11
0.263
RAL-THA-2d450e86-33
0.263
VLA-UCB-05e51b3f-1
0.263
ALP-POS-f13221e1-2
0.263
GAB-REV-70cc3ca5-17
0.263
UNK-UNK-2ede4078-22
0.262
UNK-UNK-2ede4078-6
0.261
ALP-POS-d7944b10-12
0.261
MAK-UNK-919546f0-2
0.261
MAK-UNK-919546f0-5
0.261
MAK-UNK-f481d203-3
0.261
RAL-THA-2d450e86-3
0.261
MAK-UNK-f481d203-4
0.261
MAT-POS-afd4d4fd-2
0.260
MAT-POS-afd4d4fd-3
0.260
RAL-THA-2d450e86-13
0.260
ANT-OPE-bf404da3-1
0.260
RAL-THA-2d450e86-40
0.260
PET-UNK-c9c1e0d8-1
0.260
RAL-THA-2d450e86-21
0.260
MAR-TRE-6a44bbf2-70
0.258
RAL-THA-2d450e86-37
0.258
RAL-THA-2d450e86-2
0.258
NAU-LAT-2fed8305-5
0.258
NAU-LAT-30527ac5-1
0.257
MAT-POS-281d2ee9-1
0.257
ALP-POS-d7944b10-18
0.256
EDJ-MED-ee07cf00-15
0.256
RAL-THA-2d450e86-16
0.255
MAT-POS-fce787c2-2
0.255
RAL-THA-2d450e86-30
0.255
ALP-POS-f13221e1-3
0.255
RAL-THA-2d450e86-20
0.255
MAT-POS-afd4d4fd-1
0.255
PET-UNK-dd44aeb6-3
0.255
RAL-THA-2d450e86-28
0.255
MAT-POS-fce787c2-1
0.255
MIC-UNK-16ccb665-3
0.255
DAR-DIA-0cde14eb-46
0.255
DAR-DIA-0cde14eb-48
0.255
MAR-TRE-f5c2d31c-97
0.253
MAR-TRE-f5c2d31c-17
0.253
PET-UNK-3c72d439-1
0.253
RAL-THA-2d450e86-14
0.253
MAR-TRE-f5c2d31c-3
0.253
RAL-THA-2d450e86-8
0.253
RAL-THA-2d450e86-12
0.253
RAL-THA-2d450e86-11
0.253
RAL-THA-2d450e86-31
0.253
UNK-UNK-2ede4078-13
0.252
MAK-UNK-ffc90da7-1
0.252
MAK-UNK-c749d764-6
0.252
MAR-UCB-f313ec4d-3
0.250
MAK-UNK-c749d764-32
0.250
NAU-LAT-2fed8305-4
0.250
EDJ-MED-ee07cf00-3
0.250
MAT-POS-23a8a11a-1
0.250
NAU-LAT-2fed8305-6
0.250
RAL-THA-2d450e86-5
0.250
MIC-UNK-54748b58-2
0.250
NAU-LAT-2fed8305-9
0.250
EDJ-MED-ee07cf00-10
0.250
ALP-POS-d7944b10-1
0.250