Molecular Properties | |
SMILES: | N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cccc(Cl)c23)C1 |
MW: | 467.09 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.12 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-0186a59b-4
0.821
EDJ-MED-ede277f6-9
0.770
MAT-POS-5cd9ea36-15
0.689
MIC-UNK-51049f1a-4
0.648
EDJ-MED-ede277f6-4
0.642
EDJ-MED-ede277f6-6
0.625
MIC-UNK-51049f1a-3
0.618
MAT-POS-b4d6b7fc-8
0.613
MAT-POS-81ae2990-7
0.613
EDJ-MED-ede277f6-3
0.611
MAT-POS-81ae2990-4
0.593
MAT-POS-81ae2990-1
0.589
MAT-POS-13080fc6-5
0.575
EDJ-MED-ede277f6-11
0.574
EDJ-MED-c82a5324-3
0.558
MAT-POS-4223bc15-23
0.556
MAT-POS-8293a91a-4
0.556
MAT-POS-8293a91a-5
0.556
EDJ-MED-7889e8da-3
0.550
EDJ-MED-0186a59b-2
0.550
EDJ-MED-0186a59b-8
0.545
MIK-ENA-5d9157e9-3
0.545
MIK-ENA-5d9157e9-4
0.545
JOH-UNI-ededfdb6-1
0.545
MAT-POS-13080fc6-6
0.543
MAT-POS-4223bc15-25
0.537
MAT-POS-4223bc15-22
0.532
EDJ-MED-c40d95bc-2
0.523
MAT-POS-4223bc15-21
0.523
ROB-CAM-4c532489-1
0.518
MAT-POS-4223bc15-24
0.518
MAT-POS-5cd9ea36-13
0.518
ALP-POS-1460fd94-1
0.517
EDJ-MED-7889e8da-1
0.513
BEN-DND-f06bfa8e-2
0.513
ALP-POS-6f6ae286-5
0.513
EDJ-MED-0186a59b-1
0.513
NIR-WEI-dcc3321b-6
0.513
PET-UNK-c6bcc80b-9
0.513
PET-UNK-c6bcc80b-2
0.513
MAT-POS-61f37a1a-12
0.509
PET-UNK-162c14b2-1
0.509
NIR-WEI-dcc3321b-4
0.508
EDJ-MED-c82a5324-2
0.504
EDJ-MED-54fbebd8-4
0.500
EDJ-MED-d1555997-2
0.500
EDJ-MED-7889e8da-5
0.500
EDJ-MED-0186a59b-3
0.500
MAT-POS-97ec4bd1-3
0.500
MAT-POS-81ae2990-8
0.500
EDJ-MED-4f4dd660-1
0.496
MAT-POS-b4d6b7fc-3
0.492
MAT-POS-2e8b2191-10
0.492
JOH-UNI-ededfdb6-4
0.491
EDJ-MED-e9a22d5d-1
0.491
EDJ-MED-d1555997-1
0.491
EDJ-MED-4f4dd660-3
0.488
MAT-POS-b4d6b7fc-1
0.488
MAT-POS-4223bc15-28
0.487
EDJ-MED-4f4dd660-5
0.484
MAT-POS-81ae2990-5
0.484
EDJ-MED-ede277f6-7
0.483
JOH-UNI-ededfdb6-5
0.483
JOH-UNI-ededfdb6-9
0.483
EDJ-MED-ede277f6-8
0.480
MAT-POS-81ae2990-2
0.479
EDJ-MED-009f762b-5
0.479
MIC-UNK-482af05e-1
0.478
EDJ-MED-c40d95bc-1
0.475
JOH-UNI-ededfdb6-8
0.475
BEN-DND-fa51d92c-15
0.475
RAL-THA-ee48ba5f-5
0.474
MAT-POS-4223bc15-27
0.474
RAL-THA-ee48ba5f-3
0.471
BEN-DND-f6031113-15
0.471
MAT-UNK-35705829-1
0.470
RAL-THA-ee48ba5f-4
0.470
PET-UNK-162c14b2-2
0.470
NIR-WEI-dcc3321b-5
0.469
NIR-WEI-dcc3321b-1
0.465
RAL-THA-6e4c80cf-1
0.464
MAT-POS-4223bc15-19
0.464
BEN-DND-a7517465-3
0.464
BEN-DND-fa51d92c-8
0.462
JOH-UNI-ededfdb6-2
0.462
MIC-UNK-482af05e-2
0.461
MAT-POS-4223bc15-26
0.461
MAT-POS-dd3ad2b5-1
0.459
BEN-DND-f2e727cd-6
0.459
EDJ-MED-94fddcec-3
0.459
CLI-TLC-36f34aa2-1
0.458
BEN-DND-f6031113-8
0.458
JOH-UNI-ededfdb6-3
0.458
EDJ-MED-fa7708b3-1
0.458
RAL-THA-ee48ba5f-1
0.458
EDJ-MED-f9b78f78-3
0.455
RAL-THA-ee48ba5f-2
0.454
BEN-DND-fa51d92c-16
0.454
MAT-UNK-f490e871-1
0.454
MAT-UNK-04ae9652-1
0.454