Molecular Properties | |
SMILES: | COC(C)CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21 |
MW: | 344.44 |
Fraction sp3: | 0.35 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 60.25 |
cLogP: | 2.5565 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
RUT-UNI-630c5802-18
0.759
RUT-UNI-630c5802-22
0.682
RUT-UNI-630c5802-17
0.675
RUT-UNI-630c5802-20
0.659
RUT-UNI-630c5802-21
0.640
ALP-POS-bad7201a-5
0.578
RAL-THA-4a5dabff-1
0.576
RUT-UNI-630c5802-24
0.565
ALP-POS-d2866bdf-1
0.562
PET-UNK-b75fdf9f-1
0.557
PET-UNK-b75fdf9f-2
0.556
RAL-THA-4a5dabff-2
0.554
RUT-UNI-630c5802-27
0.553
ALP-POS-c59291d4-4
0.549
RUT-UNI-630c5802-26
0.548
RAL-THA-4a5dabff-3
0.544
PET-UNK-1901c25b-2
0.538
ALP-POS-c0c213c9-6
0.532
ALP-POS-c59291d4-1
0.527
ROB-IMP-e811baff-1
0.515
RAL-THA-4a5dabff-8
0.515
RUT-UNI-630c5802-23
0.510
ALP-POS-c59291d4-2
0.510
ALP-POS-6d04362c-3
0.495
ALP-POS-6d04362c-4
0.495
MAR-LAB-ca4662a6-7
0.481
ALP-POS-c59291d4-3
0.480
MAT-POS-ffe83904-1
0.477
RUT-UNI-630c5802-25
0.477
RUT-UNI-630c5802-1
0.476
AAR-POS-8a4e0f60-1
0.469
RAL-THA-4a5dabff-4
0.467
RAL-THA-4a5dabff-5
0.464
HOL-KAN-828c7b64-1
0.458
EDJ-MED-06d94977-2
0.456
AAR-POS-8a4e0f60-8
0.446
RAL-THA-4a5dabff-7
0.442
ALP-POS-6d04362c-1
0.426
RAL-THA-4a5dabff-6
0.423
UNK-UNK-2ede4078-94
0.419
ALP-POS-87c86d55-1
0.418
OLG-UNK-911c2067-1
0.414
CHO-MSK-00c5269a-2
0.412
UNK-UNK-2ede4078-81
0.406
PET-UNK-7374c256-2
0.404
PET-UNK-1901c25b-3
0.404
UNK-UNK-2ede4078-29
0.404
MAR-LAB-ff9967db-40
0.402
ALP-POS-75715966-5
0.398
CHO-MSK-00c5269a-1
0.396
CHO-MSK-00c5269a-3
0.396
ALP-POS-bad7201a-15
0.396
ALP-POS-6d04362c-2
0.396
DAR-DIA-093892e4-7
0.394
ALP-POS-bad7201a-14
0.392
DAR-DIA-093892e4-3
0.387
ANT-DIA-62e4526e-1
0.386
EDJ-MED-06d94977-1
0.385
DAR-DIA-093892e4-4
0.385
MAD-UNK-b1ea4171-1
0.385
MAD-UNK-84a4f939-1
0.385
DAR-DIA-093892e4-5
0.385
DAR-DIA-093892e4-1
0.383
WIL-UNI-2e73223c-3
0.383
ALP-POS-87c86d55-2
0.383
MAR-LAB-ca4662a6-8
0.380
WIL-UNI-2e73223c-1
0.380
ALP-POS-c0c213c9-15
0.379
MAR-LAB-ff9967db-19
0.376
ALP-POS-6d04362c-5
0.375
ALP-POS-75715966-1
0.374
ANT-OPE-45835252-1
0.374
DAR-DIA-093892e4-11
0.371
MAR-LAB-ff9967db-24
0.371
ALP-POS-c0c213c9-18
0.371
MAT-POS-06036648-2
0.371
MAR-LAB-ff9967db-27
0.371
DAR-DIA-093892e4-9
0.370
ALP-POS-7c842ab8-1
0.370
MAT-POS-06036648-1
0.370
ALP-POS-bad7201a-9
0.369
MAR-LAB-ff9967db-3
0.368
AAR-POS-8a4e0f60-4
0.367
DAR-DIA-093892e4-2
0.367
MAT-POS-06036648-6
0.364
DAR-DIA-093892e4-12
0.364
WIL-UNI-2e73223c-2
0.364
MAT-POS-06036648-9
0.364
DAR-DIA-093892e4-8
0.364
MAT-POS-06036648-5
0.363
AAR-POS-8a4e0f60-7
0.362
DAR-DIA-093892e4-6
0.361
AAR-POS-8a4e0f60-6
0.359
NAU-LAT-3f5f3993-4
0.359
MAR-LAB-ff9967db-30
0.352
CHO-MSK-00c5269a-4
0.351
CHO-MSK-00c5269a-5
0.351
DAR-DIA-093892e4-10
0.351
MAT-POS-bfb445d4-1
0.351
MAT-POS-3b92565d-14
0.351