Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1C(=O)C1CC1 |
MW: | 405.12 |
Fraction sp3: | 0.26 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 4.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-b774e9fe-1
0.795
EDJ-MED-2791eece-2
0.795
EDJ-MED-2791eece-12
0.776
EDJ-MED-036ae2e9-2
0.767
EDJ-MED-2791eece-4
0.733
EDJ-MED-036ae2e9-4
0.710
EDJ-MED-2791eece-10
0.700
EDJ-MED-036ae2e9-8
0.695
EDJ-MED-487c5e9f-4
0.695
MAT-POS-fb82b63d-3
0.690
EDJ-MED-2791eece-6
0.667
EDJ-MED-b774e9fe-2
0.667
MAT-POS-fb82b63d-4
0.663
EDJ-MED-2791eece-1
0.645
EDJ-MED-2791eece-8
0.645
EDJ-MED-b774e9fe-3
0.645
EDJ-MED-036ae2e9-3
0.645
EDJ-MED-036ae2e9-10
0.642
EDJ-MED-2791eece-11
0.638
EDJ-MED-2791eece-5
0.632
EDJ-MED-036ae2e9-6
0.629
EDJ-MED-036ae2e9-9
0.625
EDJ-MED-487c5e9f-9
0.625
EDJ-MED-2791eece-7
0.619
EDJ-MED-036ae2e9-7
0.619
EDJ-MED-2791eece-3
0.619
EDJ-MED-487c5e9f-10
0.616
EDJ-MED-487c5e9f-11
0.610
EDJ-MED-2791eece-9
0.604
EDJ-MED-487c5e9f-1
0.604
EDJ-MED-487c5e9f-5
0.604
EDJ-MED-487c5e9f-7
0.600
EDJ-MED-036ae2e9-11
0.594
ALP-POS-477dc5b7-1
0.593
MIC-UNK-91acba05-4
0.593
MAT-POS-fb82b63d-1
0.593
EDJ-MED-036ae2e9-12
0.588
EDJ-MED-487c5e9f-6
0.588
EDJ-MED-487c5e9f-8
0.588
ALP-POS-d054b76b-2
0.585
EDJ-MED-036ae2e9-5
0.583
EDJ-MED-487c5e9f-2
0.577
EDJ-MED-487c5e9f-3
0.571
DAR-DIA-4987d2cd-4
0.556
DAR-DIA-4987d2cd-3
0.550
EDJ-MED-487c5e9f-12
0.545
MAT-POS-4223bc15-17
0.545
MAT-POS-3ccb8ef6-1
0.526
MAT-POS-d8472c4f-5
0.526
BEN-DND-f2e727cd-5
0.526
MAT-POS-3ccb8ef6-2
0.526
MAT-POS-dd3ad2b5-1
0.526
BEN-DND-f2e727cd-6
0.526
ALP-POS-d054b76b-4
0.524
PET-UNK-d61f3ea6-1
0.519
MAT-POS-dd3ad2b5-4
0.515
MAT-POS-24589f88-2
0.515
MAT-POS-24589f88-3
0.515
EDJ-MED-e9a22d5d-1
0.515
MAT-POS-4223bc15-3
0.515
ANN-CHE-e1757302-1
0.514
BEN-DND-f2e727cd-4
0.510
ALP-UNI-c3ef0aba-2
0.510
MIC-UNK-45817b9b-2
0.510
MIC-UNK-482af05e-2
0.510
MAT-POS-4223bc15-26
0.510
MAR-UCB-6ab2ec87-2
0.505
MAR-UCB-6ab2ec87-7
0.505
RAL-THA-4aa06b95-1
0.505
MAT-POS-61f37a1a-12
0.505
PET-UNK-162c14b2-1
0.505
MAT-POS-4223bc15-13
0.505
RAL-THA-8416115c-2
0.500
MIC-UNK-91acba05-6
0.500
PET-UNK-1b92fa34-1
0.500
EDG-MED-5d232de5-6
0.500
PET-UNK-9b23ef84-2
0.500
MIC-UNK-89b52b17-5
0.500
MAT-POS-4223bc15-1
0.500
EDG-MED-5d232de5-5
0.500
ROB-UNI-322e8f70-1
0.500
DAR-DIA-0f2f46c9-12
0.500
MAT-POS-dd3ad2b5-3
0.500
RAL-THA-6e4c80cf-1
0.500
MAT-POS-4223bc15-19
0.500
MAT-POS-4223bc15-6
0.500
EDJ-MED-1981ceba-2
0.500
MAT-POS-dd3ad2b5-2
0.500
MAT-POS-5cd9ea36-2
0.495
MAT-POS-4223bc15-15
0.495
PET-UNK-d61f3ea6-2
0.495
MAT-POS-4223bc15-2
0.495
RAL-THA-ee48ba5f-5
0.495
MAT-POS-4223bc15-27
0.495
DAR-DIA-0f2f46c9-10
0.495
MAR-UCB-6ab2ec87-6
0.495
MAT-POS-78e1d523-1
0.495
RAL-THA-952697e1-4
0.491
MAT-POS-777f5926-2
0.491
EDJ-MED-12c4873b-5
0.491