Molecular Properties | |
SMILES: | CCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2ccnn2)cc1 |
MW: | 369.13 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.12 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c59291d4-2
RAL-THA-d07c7800-6
0.688
RAL-THA-d07c7800-2
0.633
RAL-THA-d07c7800-1
0.622
ALP-POS-c59291d4-2
0.604
RAL-THA-d07c7800-5
0.591
RAL-THA-d07c7800-4
0.564
ROB-IMP-e811baff-1
0.480
ALP-POS-c59291d4-4
0.448
ALP-POS-c59291d4-3
0.447
PET-UNK-b75fdf9f-3
0.433
RUT-UNI-630c5802-1
0.429
ALP-POS-bad7201a-14
0.429
ALP-POS-c0c213c9-11
0.418
ALP-POS-c0c213c9-5
0.417
ALP-POS-c0c213c9-12
0.416
RAL-THA-4a5dabff-8
0.410
ALP-POS-87c86d55-2
0.404
RUT-UNI-630c5802-4
0.398
RUT-UNI-630c5802-27
0.398
ALP-POS-d2866bdf-1
0.398
RUT-UNI-630c5802-2
0.392
RUT-UNI-630c5802-24
0.392
RUT-UNI-630c5802-26
0.392
PET-UNK-b75fdf9f-1
0.392
ALP-POS-bad7201a-5
0.386
PET-UNK-1901c25b-2
0.382
ALP-POS-c0c213c9-6
0.379
ALP-POS-6d04362c-4
0.377
RAL-THA-4a5dabff-1
0.375
ALP-POS-c59291d4-1
0.373
RUT-UNI-630c5802-3
0.371
ALP-POS-8ed8d9ec-7
0.370
PET-UNK-7374c256-1
0.370
ALP-POS-6d04362c-3
0.364
PET-UNK-55f647aa-3
0.362
ALP-POS-a1bdc92a-1
0.356
ALP-POS-a3de0cb1-2
0.348
MAT-POS-ffe83904-1
0.345
RUT-UNI-630c5802-25
0.345
UNK-UNK-2ede4078-44
0.343
RAL-THA-4a5dabff-3
0.343
RAL-THA-4a5dabff-2
0.343
RAL-THA-4a5dabff-6
0.339
EDJ-MED-06d94977-1
0.337
ALP-POS-8ed8d9ec-10
0.333
ALP-POS-a3de0cb1-1
0.330
ALP-POS-8ed8d9ec-12
0.327
ALP-POS-8ed8d9ec-1
0.327
PET-UNK-1901c25b-1
0.327
ALP-POS-c0c213c9-16
0.324
ALP-POS-c0c213c9-20
0.312
ALP-POS-bad7201a-7
0.304
PET-UNK-55f647aa-2
0.303
MAK-UNK-b7886382-2
0.302
RUT-UNI-630c5802-5
0.302
ALP-POS-bad7201a-9
0.299
MAT-POS-06036648-3
0.297
PET-UNK-b75fdf9f-2
0.290
RUT-UNI-630c5802-21
0.287
RUT-UNI-630c5802-9
0.286
NAU-LAT-a5c7d7cb-4
0.282
RUT-UNI-630c5802-7
0.281
RAL-THA-4a5dabff-7
0.276
RUT-UNI-630c5802-20
0.275
RUT-UNI-630c5802-6
0.274
UNK-UNK-2ede4078-14
0.273
NIR-WEI-75ed5c39-1
0.270
RUT-UNI-630c5802-22
0.270
DAR-DIA-842b4336-10
0.270
MAT-POS-06036648-4
0.269
RUT-UNI-630c5802-17
0.269
RUT-UNI-630c5802-18
0.269
MAK-UNK-212f693e-7
0.267
PET-UNK-55f647aa-1
0.265
RUT-UNI-630c5802-11
0.265
MAK-UNK-6435e6c2-3
0.262
MIH-UNI-6b9ca91a-1
0.261
ALP-POS-8ed8d9ec-11
0.259
RUT-UNI-630c5802-8
0.259
ALP-POS-6d04362c-1
0.257
ALP-POS-a3de0cb1-10
0.257
MAD-UNK-b1ea4171-1
0.257
MAD-UNK-84a4f939-1
0.257
DAR-DIA-093892e4-11
0.257
RUT-UNI-630c5802-19
0.255
ALP-POS-8ed8d9ec-5
0.254
CHO-MSK-00c5269a-3
0.252
ALP-POS-6d04362c-2
0.252
ALP-POS-bad7201a-15
0.252
CHO-MSK-00c5269a-1
0.252
HOL-KAN-828c7b64-1
0.252
DAR-DIA-667e571f-5
0.252
RUT-UNI-630c5802-10
0.250
MAK-UNK-212f693e-15
0.250
ALP-POS-6d04362c-5
0.248
CHO-MSK-00c5269a-2
0.246
DAR-DIA-093892e4-5
0.246
MAK-UNK-009ebe36-10
0.245
MAK-UNK-212f693e-6
0.244
JOH-IMS-62aeb97d-5
0.244