Molecule Details
| Molecular Properties | |
| SMILES: | N#CCNC(=O)CN1CCc2ccc(Cl)cc2C1C(=O)Nc1cncc2ccccc12 |
| MW: | 433.13 |
| Fraction sp3: | 0.22 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 98.12 |
| cLogP: | 3.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-2791eece-5
0.806
EDJ-MED-2791eece-1
0.766
EDJ-MED-036ae2e9-6
0.763
EDJ-MED-2791eece-7
0.753
EDJ-MED-2791eece-3
0.683
MAT-POS-fb82b63d-4
0.677
EDJ-MED-2791eece-9
0.651
EDJ-MED-487c5e9f-1
0.636
MAT-POS-5cd9ea36-15
0.632
EDJ-MED-2791eece-4
0.625
EDJ-MED-036ae2e9-7
0.619
MAT-POS-fb82b63d-3
0.616
EDJ-MED-b774e9fe-1
0.604
EDJ-MED-2791eece-2
0.604
EDJ-MED-b774e9fe-2
0.598
EDJ-MED-2791eece-6
0.598
EDJ-MED-036ae2e9-3
0.596
EDJ-MED-2791eece-8
0.596
EDJ-MED-b774e9fe-3
0.596
EDJ-MED-487c5e9f-2
0.595
EDJ-MED-036ae2e9-10
0.594
EDJ-MED-2791eece-12
0.592
EDJ-MED-036ae2e9-2
0.587
EDJ-MED-036ae2e9-1
0.583
EDJ-MED-036ae2e9-12
0.577
EDJ-MED-2791eece-11
0.575
ALP-POS-d054b76b-2
0.573
EDJ-MED-036ae2e9-11
0.568
EDJ-MED-2791eece-10
0.566
EDJ-MED-036ae2e9-9
0.565
EDJ-MED-487c5e9f-6
0.562
DAR-DIA-4987d2cd-3
0.556
EDJ-MED-487c5e9f-9
0.550
EDJ-MED-487c5e9f-8
0.549
DAR-DIA-4987d2cd-4
0.546
EDJ-MED-487c5e9f-10
0.545
EDJ-MED-487c5e9f-4
0.540
EDJ-MED-036ae2e9-8
0.540
EDJ-MED-487c5e9f-12
0.538
EDJ-MED-036ae2e9-4
0.536
EDJ-MED-487c5e9f-5
0.535
EDJ-MED-487c5e9f-3
0.534
ALP-POS-d054b76b-4
0.531
EDJ-MED-487c5e9f-7
0.531
PET-UNK-162c14b2-1
0.528
MAT-POS-61f37a1a-12
0.528
EDJ-MED-487c5e9f-11
0.526
RAL-THA-6e4c80cf-1
0.523
MAT-POS-4223bc15-19
0.523
MAT-POS-8293a91a-5
0.518
MAT-POS-4223bc15-23
0.518
MAT-POS-8293a91a-4
0.518
MAT-POS-4223bc15-28
0.518
MAT-POS-4223bc15-25
0.514
MAT-POS-5cd9ea36-24
0.513
MAT-POS-24589f88-3
0.509
MAT-POS-dd3ad2b5-4
0.509
MAT-POS-24589f88-2
0.509
MAT-POS-4223bc15-6
0.509
RAL-THA-6e4c80cf-2
0.509
MAT-POS-4223bc15-22
0.509
MAT-POS-4223bc15-20
0.509
MAT-POS-4223bc15-24
0.509
EDJ-MED-c82a5324-3
0.509
MAT-POS-fb82b63d-1
0.505
MAT-POS-dd3ad2b5-1
0.505
BEN-DND-f2e727cd-6
0.505
RAL-THA-ee48ba5f-5
0.505
EDJ-MED-54fbebd8-4
0.505
MIC-UNK-482af05e-2
0.505
MAT-POS-4223bc15-33
0.504
MAT-POS-5cd9ea36-21
0.504
RAL-THA-ee48ba5f-4
0.500
EDJ-MED-76744c27-6
0.500
EDJ-MED-c40d95bc-2
0.500
EDJ-MED-76744c27-2
0.500
EDJ-MED-76744c27-7
0.500
MAT-POS-4223bc15-21
0.500
MAT-POS-dc2604c4-4
0.500
MAT-POS-5cd9ea36-18
0.500
JOH-SUS-07b743f6-3
0.496
EDJ-MED-ede277f6-4
0.496
PET-UNK-af70882d-4
0.496
EDJ-MED-76744c27-5
0.496
JOH-UNI-ededfdb6-1
0.496
EDJ-MED-e9a22d5d-1
0.495
MAT-POS-4223bc15-1
0.495
PET-UNK-9b23ef84-2
0.495
MAT-POS-dd3ad2b5-2
0.495
MAT-POS-dd3ad2b5-3
0.495
PET-UNK-af70882d-1
0.492
EDJ-MED-76744c27-1
0.492
MAT-POS-e194df51-1
0.492
MAT-POS-e194df51-2
0.492
JOH-SUS-07b743f6-6
0.492
MAT-POS-dc2604c4-1
0.492
MAT-POS-bf364d7a-5
0.492
MAT-POS-5cd9ea36-1
0.492
MAT-POS-bf364d7a-6
0.492
PET-UNK-d61f3ea6-3
0.491