Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1c2cc(Cl)ccc2CCN1CC1CC1 |
MW: | 391.15 |
Fraction sp3: | 0.3 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 4.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-2791eece-1
0.753
EDJ-MED-2791eece-7
0.739
EDJ-MED-2791eece-5
0.736
EDJ-MED-036ae2e9-6
0.731
EDJ-MED-2791eece-3
0.720
EDJ-MED-487c5e9f-1
0.684
EDJ-MED-2791eece-9
0.684
EDJ-MED-036ae2e9-5
0.677
MAT-POS-fb82b63d-3
0.667
EDJ-MED-036ae2e9-1
0.663
EDJ-MED-036ae2e9-10
0.656
EDJ-MED-b774e9fe-1
0.652
EDJ-MED-2791eece-2
0.652
EDJ-MED-b774e9fe-2
0.645
EDJ-MED-2791eece-6
0.645
EDJ-MED-2791eece-10
0.642
EDJ-MED-036ae2e9-3
0.642
EDJ-MED-2791eece-12
0.638
EDJ-MED-036ae2e9-2
0.632
EDJ-MED-2791eece-8
0.625
EDJ-MED-b774e9fe-3
0.625
EDJ-MED-2791eece-4
0.622
EDJ-MED-036ae2e9-9
0.622
EDJ-MED-2791eece-11
0.619
EDJ-MED-036ae2e9-7
0.616
EDJ-MED-487c5e9f-9
0.606
EDJ-MED-036ae2e9-12
0.602
EDJ-MED-487c5e9f-4
0.592
EDJ-MED-036ae2e9-8
0.592
EDJ-MED-487c5e9f-11
0.592
EDJ-MED-036ae2e9-11
0.592
EDJ-MED-036ae2e9-4
0.588
EDJ-MED-487c5e9f-7
0.583
EDJ-MED-487c5e9f-10
0.583
EDJ-MED-487c5e9f-2
0.575
EDJ-MED-487c5e9f-5
0.571
EDJ-MED-487c5e9f-6
0.571
EDJ-MED-487c5e9f-8
0.571
EDJ-MED-487c5e9f-3
0.570
ALP-POS-d054b76b-2
0.567
EDJ-MED-487c5e9f-12
0.559
ALP-POS-477dc5b7-1
0.558
MAT-POS-fb82b63d-1
0.558
MIC-UNK-91acba05-4
0.558
DAR-DIA-4987d2cd-4
0.539
DAR-DIA-4987d2cd-3
0.534
MAT-POS-4223bc15-25
0.520
MAT-POS-3ccb8ef6-1
0.510
MAT-POS-3ccb8ef6-2
0.510
MAT-POS-d8472c4f-5
0.510
BEN-DND-f2e727cd-5
0.510
RAL-THA-ee48ba5f-5
0.510
MIC-UNK-482af05e-2
0.510
ALP-POS-d054b76b-4
0.509
EDJ-MED-eb111c00-3
0.505
RAL-THA-4aa06b95-2
0.505
EDJ-MED-76744c27-3
0.505
MAT-POS-dd3ad2b5-4
0.500
MAT-POS-dd3ad2b5-3
0.500
MAT-POS-24589f88-2
0.500
MAT-POS-4223bc15-24
0.500
MAT-POS-4223bc15-3
0.500
MAT-POS-4223bc15-6
0.500
MAT-POS-24589f88-3
0.500
PET-UNK-d61f3ea6-2
0.495
MAT-POS-dd3ad2b5-1
0.495
BEN-DND-f2e727cd-6
0.495
MAT-POS-78e1d523-1
0.495
BEN-DND-f2e727cd-4
0.495
ALP-UNI-c3ef0aba-2
0.495
BRU-THA-d60fe444-1
0.491
RAL-THA-ee48ba5f-4
0.491
MAT-POS-4223bc15-13
0.491
MAT-POS-4223bc15-21
0.490
MAT-POS-61f37a1a-12
0.490
PET-UNK-162c14b2-1
0.490
EDJ-MED-c40d95bc-2
0.490
RAL-THA-8416115c-7
0.490
RAL-THA-4aa06b95-1
0.490
MAR-UCB-6ab2ec87-2
0.490
JOH-SUS-07b743f6-3
0.487
EDJ-MED-4fff0a85-2
0.486
ANN-CHE-e1757302-1
0.486
EDJ-MED-7f6e5b75-1
0.486
MAT-POS-4223bc15-20
0.486
EDJ-MED-1981ceba-2
0.486
RAL-THA-6e4c80cf-2
0.486
EDJ-MED-e9a22d5d-1
0.486
MAT-POS-4223bc15-17
0.486
MAT-POS-4223bc15-1
0.486
RAL-THA-8416115c-8
0.486
MAT-POS-dd3ad2b5-2
0.485
MAT-POS-4223bc15-19
0.485
RAL-THA-4aa06b95-6
0.485
RAL-THA-8416115c-3
0.485
RAL-THA-6e4c80cf-1
0.485
PET-UNK-9b23ef84-2
0.485
EDG-MED-5d232de5-5
0.485
EDG-MED-5d232de5-6
0.485
DAR-DIA-0f2f46c9-12
0.485