Molecular Properties | |
SMILES: | CN(CC#N)S(=O)(=O)N1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
MW: | 469.1 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 106.4 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
Hetero_hetero
EDJ-MED-2791eece-11
0.787
EDJ-MED-036ae2e9-7
0.727
EDJ-MED-2791eece-6
0.708
EDJ-MED-b774e9fe-2
0.708
EDJ-MED-b774e9fe-3
0.704
EDJ-MED-2791eece-8
0.704
EDJ-MED-036ae2e9-3
0.704
EDJ-MED-036ae2e9-12
0.692
EDJ-MED-2791eece-10
0.670
EDJ-MED-036ae2e9-9
0.667
EDJ-MED-036ae2e9-10
0.667
EDJ-MED-487c5e9f-6
0.660
EDJ-MED-487c5e9f-10
0.657
EDJ-MED-036ae2e9-11
0.651
EDJ-MED-487c5e9f-9
0.650
EDJ-MED-487c5e9f-12
0.643
EDJ-MED-487c5e9f-3
0.642
EDJ-MED-2791eece-1
0.637
EDJ-MED-487c5e9f-8
0.630
EDJ-MED-487c5e9f-7
0.626
EDJ-MED-487c5e9f-11
0.620
EDJ-MED-2791eece-4
0.619
MAT-POS-5cd9ea36-18
0.618
EDJ-MED-487c5e9f-5
0.615
ALP-POS-d054b76b-2
0.614
EDJ-MED-036ae2e9-2
0.612
MAT-POS-fb82b63d-3
0.610
EDJ-MED-2791eece-7
0.598
EDJ-MED-2791eece-2
0.598
EDJ-MED-b774e9fe-1
0.598
EDJ-MED-036ae2e9-5
0.595
EDJ-MED-2791eece-12
0.587
EDJ-MED-2791eece-5
0.579
EDJ-MED-036ae2e9-1
0.577
MAT-POS-fb82b63d-4
0.575
EDJ-MED-2791eece-3
0.569
ALP-POS-d054b76b-4
0.568
EDJ-MED-487c5e9f-1
0.558
MAT-POS-5cd9ea36-21
0.552
EDJ-MED-036ae2e9-6
0.550
EDJ-MED-2791eece-9
0.544
MAT-POS-4223bc15-2
0.541
EDJ-MED-036ae2e9-8
0.535
EDJ-MED-487c5e9f-4
0.535
EDJ-MED-036ae2e9-4
0.531
MAT-POS-5cd9ea36-16
0.526
BEN-DND-32596b04-4
0.525
MAT-POS-5cd9ea36-23
0.513
MAT-POS-5cd9ea36-24
0.509
MAT-POS-5cd9ea36-22
0.508
MAT-POS-24589f88-3
0.505
MAT-POS-dd3ad2b5-4
0.505
MAT-POS-24589f88-2
0.505
MAT-POS-4223bc15-6
0.505
MAT-POS-4223bc15-24
0.504
PET-UNK-af70882d-3
0.504
MAT-POS-5cd9ea36-19
0.504
MAT-POS-5cd9ea36-20
0.504
MAT-POS-af1eef35-2
0.500
PET-UNK-d61f3ea6-3
0.500
DAR-DIA-4987d2cd-4
0.500
MAT-POS-dc2604c4-1
0.500
MAT-POS-e194df51-1
0.500
MAT-POS-e194df51-2
0.500
MAT-POS-51135489-1
0.500
EDJ-MED-e18764cb-3
0.500
MAT-POS-dc2604c4-4
0.496
EDJ-MED-76744c27-6
0.496
MAT-POS-4223bc15-13
0.496
DAR-DIA-4987d2cd-3
0.496
PET-UNK-162c14b2-1
0.495
MAT-POS-61f37a1a-12
0.495
ALP-POS-07e1ed01-2
0.492
JOH-SUS-07b743f6-3
0.492
ALF-EVA-0e90125c-4
0.492
RAL-THA-ee48ba5f-2
0.491
MAT-POS-4223bc15-1
0.491
MAT-POS-4223bc15-12
0.488
PET-UNK-af70882d-1
0.487
MAT-POS-bf364d7a-5
0.487
MAT-POS-5cd9ea36-1
0.487
EDJ-MED-76744c27-1
0.487
JOH-SUS-07b743f6-6
0.487
MAT-POS-bf364d7a-6
0.487
ALF-EVA-07677224-3
0.487
MAT-POS-5cd9ea36-15
0.487
MAT-POS-5cd9ea36-17
0.487
DAR-DIA-0f2f46c9-14
0.487
DAR-DIA-0f2f46c9-13
0.487
RAL-THA-ee48ba5f-5
0.487
PET-UNK-d61f3ea6-2
0.487
BEN-DND-f2e727cd-6
0.486
MAT-POS-dd3ad2b5-1
0.486
ALP-POS-477dc5b7-1
0.486
MAT-POS-fb82b63d-1
0.486
MIC-UNK-91acba05-4
0.486
MAT-POS-5cd9ea36-8
0.484
MAT-POS-5cd9ea36-12
0.483
BEN-DND-32596b04-2
0.483
EDJ-MED-1981ceba-5
0.483