Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cs1)Nc1cncc2ccccc12 |
MW: | 302.03 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NAU-LAT-2fed8305-6
0.652
NAU-LAT-2fed8305-9
0.629
MAT-POS-fce787c2-2
0.623
RAL-THA-2d450e86-30
0.623
RAL-THA-2d450e86-2
0.609
ADA-UCB-6c2cb422-1
0.606
RAL-THA-2d450e86-1
0.597
PET-UNK-bb7ffe78-1
0.587
RAL-THA-2d450e86-36
0.586
PET-UNK-bb7ffe78-3
0.584
MAT-POS-23a8a11a-1
0.583
RAL-THA-2d450e86-33
0.583
PET-UNK-1e7f2e90-1
0.582
RAL-THA-2d450e86-27
0.581
RAL-THA-2d450e86-25
0.581
PET-UNK-dd44aeb6-1
0.581
PET-UNK-dd44aeb6-2
0.581
RAL-THA-2d450e86-24
0.581
VLA-UNK-b9c208fe-2
0.575
RAL-THA-2d450e86-14
0.573
RAL-THA-2d450e86-15
0.573
RAL-THA-2d450e86-6
0.573
PET-UNK-3c72d439-1
0.573
VLA-UNK-9a7dc93f-1
0.566
MAK-UNK-919546f0-4
0.565
MAT-POS-cc05818f-1
0.564
RAL-THA-2d450e86-17
0.564
RAL-THA-2d450e86-19
0.560
PET-UNK-bb7ffe78-2
0.556
RAL-THA-2d450e86-35
0.556
RAL-THA-2d450e86-16
0.556
RAL-THA-2d450e86-34
0.554
MAT-POS-afd4d4fd-3
0.554
MAT-POS-afd4d4fd-2
0.554
RAL-THA-2d450e86-8
0.553
RAL-THA-2d450e86-9
0.553
MAT-POS-3b92565d-2
0.551
ALP-POS-3b848b35-1
0.551
RAL-THA-1d44ff04-4
0.551
MIC-UNK-df9dcda8-3
0.551
RAL-THA-2d450e86-18
0.551
RAL-THA-1d44ff04-3
0.550
RAL-THA-2d450e86-3
0.549
RAL-THA-2d450e86-26
0.547
RAL-THA-2d450e86-28
0.544
RAL-THA-2d450e86-29
0.544
MIC-UNK-16ccb665-3
0.544
DAR-DIA-0cde14eb-48
0.544
BEN-DND-d1eb1f41-4
0.544
PET-UNK-dd44aeb6-3
0.544
MAT-POS-bbbbc21a-1
0.544
MAT-POS-3b92565d-1
0.544
MIC-UNK-16ccb665-2
0.543
PET-UNK-8c422e11-4
0.542
RAL-THA-2d450e86-38
0.542
RAL-THA-2d450e86-7
0.542
RAL-THA-2d450e86-37
0.542
RAL-THA-2d450e86-5
0.541
RAL-THA-2d450e86-10
0.541
MAT-POS-afd4d4fd-1
0.539
RAL-THA-2d450e86-20
0.539
RAL-THA-2d450e86-22
0.538
RAL-THA-1d44ff04-10
0.537
BEN-DND-d1eb1f41-6
0.537
RAL-THA-1d44ff04-13
0.537
RAL-THA-1d44ff04-9
0.537
RAL-THA-1d44ff04-6
0.537
ALP-POS-df536be7-6
0.536
RAL-THA-2d450e86-13
0.533
PET-UNK-c9c1e0d8-1
0.533
RAL-THA-2d450e86-12
0.532
PET-UNK-8c422e11-1
0.531
MIC-UNK-df9dcda8-4
0.531
RAL-THA-1d44ff04-5
0.531
ALP-POS-df536be7-5
0.531
EDJ-MED-50011917-1
0.529
RAL-THA-2d450e86-4
0.527
RAL-THA-2d450e86-23
0.526
MAK-UNK-c749d764-32
0.526
PET-UNK-c9c1e0d8-2
0.526
MIC-UNK-df9dcda8-1
0.524
MIC-UNK-16ccb665-1
0.524
PET-UNK-8c422e11-3
0.524
MIC-UNK-644c43c7-4
0.524
MAT-POS-bbbbc21a-3
0.524
PET-UNK-c5865d42-1
0.524
RAL-THA-1d44ff04-7
0.524
PET-UNK-b87f07d0-2
0.523
PET-UNK-372a2f82-1
0.523
PET-UNK-b87f07d0-1
0.523
RAL-THA-2d450e86-32
0.520
ALP-POS-f13221e1-3
0.519
RAL-THA-2d450e86-21
0.519
DAR-DIA-0cde14eb-47
0.519
NAU-LAT-30527ac5-1
0.518
MAT-POS-281d2ee9-1
0.518
PET-UNK-8c422e11-2
0.518
MIC-UNK-08fa0751-2
0.518
RAL-THA-1d44ff04-11
0.518
MIC-UNK-644c43c7-3
0.518