Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(Cl)cc1 |
MW: | 382.07 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 51.02 |
cLogP: | 4.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-d2866bdf-1
OLG-UNK-911c2067-1
RAL-THA-4a5dabff-1
0.819
ALP-POS-d2866bdf-1
0.813
ALP-POS-c59291d4-4
0.792
ALP-POS-c59291d4-1
0.782
ALP-POS-bad7201a-5
0.782
PET-UNK-1901c25b-2
0.772
RUT-UNI-630c5802-24
0.762
RUT-UNI-630c5802-26
0.762
ALP-POS-c0c213c9-6
0.762
RUT-UNI-630c5802-27
0.744
ROB-IMP-e811baff-1
0.735
ALP-POS-c59291d4-2
0.726
ALP-POS-6d04362c-4
0.726
ALP-POS-6d04362c-3
0.726
RAL-THA-4a5dabff-3
0.722
RAL-THA-4a5dabff-2
0.707
ALP-POS-c59291d4-3
0.701
RUT-UNI-630c5802-1
0.693
OLG-UNK-911c2067-1
0.671
PET-UNK-b75fdf9f-2
0.671
RAL-THA-4a5dabff-8
0.652
RUT-UNI-630c5802-25
0.649
MAT-POS-ffe83904-1
0.649
DAR-DIA-093892e4-7
0.607
CHO-MSK-00c5269a-1
0.605
CHO-MSK-00c5269a-3
0.605
ALP-POS-bad7201a-15
0.605
ALP-POS-6d04362c-2
0.605
CHO-MSK-00c5269a-2
0.584
DAR-DIA-093892e4-11
0.584
RUT-UNI-630c5802-17
0.581
ALP-POS-6d04362c-1
0.578
DAR-DIA-093892e4-12
0.571
RUT-UNI-630c5802-21
0.568
RUT-UNI-630c5802-20
0.568
RUT-UNI-630c5802-18
0.563
RUT-UNI-630c5802-19
0.557
RUT-UNI-630c5802-22
0.556
DAR-DIA-093892e4-2
0.553
MAD-UNK-84a4f939-1
0.549
MAD-UNK-b1ea4171-1
0.549
DAR-DIA-093892e4-6
0.548
DAR-DIA-093892e4-3
0.548
CHO-MSK-00c5269a-5
0.547
CHO-MSK-00c5269a-4
0.547
ALP-POS-87c86d55-1
0.545
HOL-KAN-828c7b64-1
0.545
ALP-POS-75715966-5
0.533
DAR-DIA-093892e4-5
0.533
DAR-DIA-093892e4-10
0.531
ALP-POS-bad7201a-14
0.527
RUT-UNI-630c5802-23
0.527
ALP-POS-6d04362c-5
0.522
PET-UNK-7374c256-2
0.511
PET-UNK-1901c25b-3
0.511
DAR-DIA-093892e4-9
0.510
DAR-DIA-093892e4-1
0.510
RUT-UNI-630c5802-9
0.505
ALP-POS-75715966-1
0.500
DAR-DIA-093892e4-8
0.500
DAR-DIA-093892e4-4
0.495
ALP-POS-7c842ab8-1
0.495
ALP-POS-87c86d55-2
0.495
RAL-THA-4a5dabff-5
0.495
ALP-POS-8ed8d9ec-7
0.495
PET-UNK-7374c256-1
0.495
EDJ-MED-06d94977-2
0.488
PET-UNK-b75fdf9f-3
0.488
RUT-UNI-630c5802-5
0.485
ALP-POS-c0c213c9-18
0.469
RAL-THA-4a5dabff-4
0.467
ALP-POS-c0c213c9-15
0.463
VLA-UCB-34f3ed0c-2
0.458
MAT-POS-06036648-1
0.457
MAT-POS-06036648-5
0.447
MAR-LAB-ca4662a6-7
0.444
ALP-POS-bad7201a-9
0.438
MAR-LAB-ff9967db-30
0.430
EDJ-MED-06d94977-1
0.429
HOL-KAN-47917554-1
0.427
RAL-THA-4a5dabff-7
0.427
BEN-DND-61647d40-12
0.425
MAT-POS-bfb445d4-1
0.425
MAT-POS-3b92565d-14
0.425
BEN-DND-02317c5c-12
0.425
RUT-UNI-630c5802-13
0.425
ALP-POS-c0c213c9-3
0.422
ALP-POS-c0c213c9-5
0.421
UNK-UNK-2ede4078-81
0.419
UNK-UNK-2ede4078-94
0.418
MAT-POS-06036648-3
0.416
AAR-POS-8a4e0f60-1
0.410
MAT-POS-06036648-2
0.410
ALP-POS-c0c213c9-11
0.408
RAL-THA-d07c7800-1
0.408
RAL-THA-4a5dabff-6
0.408
ALP-POS-c0c213c9-12
0.406
MAT-POS-06036648-6
0.402
AAR-POS-8a4e0f60-8
0.402
UNK-UNK-2ede4078-29
0.402