Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)co1)Nc1cncc2ccccc12 |
MW: | 286.05 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 55.13 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-2d450e86-30
0.642
MAT-POS-fce787c2-2
0.642
NAU-LAT-2fed8305-5
0.629
RAL-THA-2d450e86-2
0.627
PET-UNK-bb7ffe78-1
0.625
ADA-UCB-6c2cb422-1
0.623
RAL-THA-2d450e86-14
0.611
RAL-THA-2d450e86-26
0.606
RAL-THA-2d450e86-36
0.603
NAU-LAT-2fed8305-6
0.600
PET-UNK-bb7ffe78-3
0.600
MAT-POS-23a8a11a-1
0.600
RAL-THA-2d450e86-33
0.600
PET-UNK-1e7f2e90-1
0.597
RAL-THA-2d450e86-27
0.597
RAL-THA-2d450e86-24
0.597
PET-UNK-dd44aeb6-1
0.597
PET-UNK-dd44aeb6-2
0.597
RAL-THA-2d450e86-25
0.597
RAL-THA-2d450e86-35
0.594
RAL-THA-2d450e86-16
0.594
MAT-POS-afd4d4fd-3
0.592
VLA-UNK-b9c208fe-2
0.592
RAL-THA-2d450e86-1
0.591
RAL-THA-2d450e86-15
0.589
PET-UNK-3c72d439-1
0.589
RAL-THA-2d450e86-6
0.589
RAL-THA-2d450e86-3
0.588
RAL-THA-1d44ff04-3
0.584
MAK-UNK-919546f0-4
0.582
RAL-THA-2d450e86-7
0.580
RAL-THA-2d450e86-37
0.580
RAL-THA-2d450e86-28
0.579
PET-UNK-dd44aeb6-3
0.579
RAL-THA-2d450e86-29
0.579
RAL-THA-2d450e86-17
0.579
MAT-POS-bbbbc21a-1
0.579
MAT-POS-3b92565d-1
0.579
MAT-POS-cc05818f-1
0.579
RAL-THA-2d450e86-10
0.577
RAL-THA-1d44ff04-6
0.570
RAL-THA-1d44ff04-9
0.570
MAT-POS-afd4d4fd-2
0.569
RAL-THA-2d450e86-13
0.569
RAL-THA-2d450e86-34
0.569
RAL-THA-2d450e86-9
0.568
RAL-THA-2d450e86-8
0.568
RAL-THA-1d44ff04-4
0.566
MIC-UNK-df9dcda8-3
0.566
RAL-THA-2d450e86-18
0.566
ALP-POS-3b848b35-1
0.566
MAT-POS-3b92565d-2
0.566
VLA-UNK-9a7dc93f-1
0.560
MAK-UNK-c749d764-32
0.560
MIC-UNK-16ccb665-3
0.558
BEN-DND-d1eb1f41-4
0.558
RAL-THA-2d450e86-38
0.557
MIC-UNK-df9dcda8-1
0.557
MIC-UNK-df9dcda8-2
0.556
PET-UNK-c5865d42-1
0.556
MIC-UNK-644c43c7-4
0.556
MAT-POS-afd4d4fd-1
0.554
RAL-THA-2d450e86-20
0.554
RAL-THA-2d450e86-19
0.554
RAL-THA-2d450e86-22
0.553
RAL-THA-1d44ff04-10
0.551
BEN-DND-d1eb1f41-6
0.551
RAL-THA-1d44ff04-13
0.551
MIC-UNK-644c43c7-3
0.549
PET-UNK-c9c1e0d8-1
0.548
RAL-THA-1d44ff04-5
0.544
PET-UNK-8c422e11-1
0.544
MIC-UNK-df9dcda8-4
0.544
EDJ-MED-50011917-1
0.542
RAL-THA-2d450e86-4
0.542
VLA-UNK-b9c208fe-1
0.537
MIC-UNK-16ccb665-2
0.537
MIC-UNK-16ccb665-1
0.537
PET-UNK-8c422e11-3
0.537
MAT-POS-bbbbc21a-3
0.537
PET-UNK-b87f07d0-2
0.536
PET-UNK-372a2f82-1
0.536
PET-UNK-b87f07d0-1
0.536
RAL-THA-2d450e86-32
0.534
RAL-THA-2d450e86-5
0.534
ALP-POS-f13221e1-3
0.533
RAL-THA-2d450e86-21
0.532
PET-UNK-8c422e11-2
0.531
BAR-COM-0f94fc3d-47
0.531
RAL-THA-1d44ff04-11
0.531
MAT-POS-281d2ee9-1
0.531
PET-UNK-bb7ffe78-2
0.531
NAU-LAT-30527ac5-1
0.531
MIC-UNK-08fa0751-2
0.531
MIC-UNK-644c43c7-1
0.529
RAL-THA-2d450e86-39
0.527
RAL-THA-2d450e86-40
0.527
RAL-THA-2d450e86-11
0.526
RAL-THA-2d450e86-31
0.526
RAL-THA-2d450e86-12
0.526