Molecular Properties | |
SMILES: | CC(C)NCCN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21 |
MW: | 357.483 |
Fraction sp3: | 0.39 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 63.05 |
cLogP: | 2.5196 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
RUT-UNI-630c5802-17
0.711
RUT-UNI-630c5802-21
0.694
RUT-UNI-630c5802-20
0.694
RUT-UNI-630c5802-19
0.682
RUT-UNI-630c5802-18
0.671
RAL-THA-4a5dabff-1
0.575
ALP-POS-c59291d4-4
0.565
RUT-UNI-630c5802-24
0.564
ALP-POS-d2866bdf-1
0.560
PET-UNK-b75fdf9f-1
0.556
ALP-POS-c0c213c9-6
0.547
RUT-UNI-630c5802-26
0.547
RAL-THA-4a5dabff-3
0.543
ALP-POS-bad7201a-5
0.543
PET-UNK-b75fdf9f-2
0.538
RAL-THA-4a5dabff-2
0.537
PET-UNK-1901c25b-2
0.537
ROB-IMP-e811baff-1
0.531
ALP-POS-c59291d4-1
0.526
ALP-POS-c59291d4-2
0.525
RUT-UNI-630c5802-27
0.520
RAL-THA-4a5dabff-8
0.515
ALP-POS-6d04362c-3
0.510
ALP-POS-c59291d4-3
0.510
ALP-POS-6d04362c-4
0.495
RUT-UNI-630c5802-23
0.495
RUT-UNI-630c5802-1
0.490
MAT-POS-ffe83904-1
0.477
AAR-POS-8a4e0f60-1
0.470
RAL-THA-4a5dabff-4
0.468
RAL-THA-4a5dabff-5
0.465
MAR-LAB-ca4662a6-7
0.464
RUT-UNI-630c5802-25
0.464
EDJ-MED-06d94977-2
0.457
HOL-KAN-828c7b64-1
0.445
OLG-UNK-911c2067-1
0.430
RAL-THA-4a5dabff-7
0.430
ALP-POS-6d04362c-1
0.427
RAL-THA-4a5dabff-6
0.425
ALP-POS-87c86d55-1
0.420
AAR-POS-8a4e0f60-8
0.419
ALP-POS-bad7201a-15
0.412
CHO-MSK-00c5269a-1
0.412
CHO-MSK-00c5269a-3
0.412
ALP-POS-6d04362c-2
0.412
UNK-UNK-2ede4078-81
0.408
ALP-POS-bad7201a-14
0.408
UNK-UNK-2ede4078-94
0.406
EDJ-MED-06d94977-1
0.402
ALP-POS-75715966-5
0.400
DAR-DIA-093892e4-5
0.400
MAR-LAB-ff9967db-24
0.400
CHO-MSK-00c5269a-2
0.400
ALP-POS-87c86d55-2
0.398
DAR-DIA-093892e4-7
0.396
DAR-DIA-093892e4-12
0.393
PET-UNK-1901c25b-3
0.392
PET-UNK-7374c256-2
0.392
DAR-DIA-093892e4-8
0.391
VLA-UCB-34f3ed0c-2
0.390
ANT-DIA-62e4526e-1
0.389
DAR-DIA-093892e4-6
0.389
ALP-POS-75715966-1
0.389
MAD-UNK-84a4f939-1
0.387
DAR-DIA-093892e4-11
0.387
MAD-UNK-b1ea4171-1
0.387
DAR-DIA-093892e4-9
0.385
DAR-DIA-093892e4-1
0.385
WIL-UNI-2e73223c-3
0.385
ALP-POS-bad7201a-9
0.385
MAR-LAB-ca4662a6-8
0.383
WIL-UNI-2e73223c-1
0.382
DAR-DIA-093892e4-2
0.382
ALP-POS-c0c213c9-15
0.381
MAR-LAB-ff9967db-30
0.380
MAR-LAB-ff9967db-40
0.379
MAT-POS-06036648-5
0.379
CHO-MSK-00c5269a-5
0.378
MAR-LAB-ff9967db-19
0.378
ALP-POS-6d04362c-5
0.377
DAR-DIA-093892e4-4
0.375
MAR-LAB-ff9967db-4
0.374
ALP-POS-c0c213c9-18
0.374
MAR-LAB-ff9967db-27
0.373
MAR-LAB-ff9967db-31
0.373
ALP-POS-7c842ab8-1
0.373
MAT-POS-06036648-1
0.373
DAR-DIA-093892e4-10
0.366
CHO-MSK-00c5269a-4
0.366
WIL-UNI-2e73223c-2
0.366
AAR-POS-8a4e0f60-7
0.364
MAR-LAB-ff9967db-38
0.364
DAR-DIA-093892e4-3
0.364
RUT-UNI-630c5802-9
0.362
NAU-LAT-3f5f3993-4
0.362
ANT-OPE-45835252-1
0.362
MAR-LAB-ff9967db-3
0.359
MAT-POS-3b92565d-13
0.357
RUT-UNI-630c5802-5
0.357
UNK-UNK-2ede4078-29
0.357