Molecular Properties | |
SMILES: | N#CCNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(F)ccc23)C1 |
MW: | 451.12 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.12 |
cLogP: | 3.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
ALP-POS-6f6ae286-5
0.823
BEN-DND-f06bfa8e-2
0.823
EDJ-MED-0186a59b-1
0.823
EDJ-MED-7889e8da-1
0.823
MAT-POS-5cd9ea36-15
0.786
EDJ-MED-ede277f6-6
0.777
EDJ-MED-ede277f6-7
0.772
EDJ-MED-0186a59b-2
0.700
EDJ-MED-7889e8da-3
0.700
PET-UNK-03fd2068-4
0.657
EDJ-MED-ede277f6-5
0.642
MAT-POS-4223bc15-23
0.641
MAT-POS-8293a91a-4
0.641
MAT-POS-8293a91a-5
0.641
EDJ-MED-c82a5324-3
0.639
ALP-POS-1460fd94-1
0.636
EDJ-MED-7889e8da-5
0.633
EDJ-MED-0186a59b-3
0.633
EDJ-MED-be9e6f63-2
0.631
PET-UNK-ff046148-3
0.631
EDJ-MED-7889e8da-2
0.631
EDJ-MED-ede277f6-1
0.628
PET-UNK-ff046148-4
0.624
MAT-POS-4223bc15-25
0.621
MAT-POS-b4d6b7fc-1
0.616
ALP-POS-6f6ae286-4
0.614
MAT-POS-4223bc15-22
0.613
ALP-POS-6f6ae286-6
0.613
BEN-DND-f06bfa8e-3
0.613
JOH-UNI-ededfdb6-1
0.611
EDJ-MED-4f4dd660-1
0.611
EDJ-MED-c40d95bc-2
0.606
MAT-POS-4223bc15-21
0.606
EDJ-MED-ede277f6-8
0.605
MAT-POS-b4d6b7fc-3
0.605
PET-UNK-ff046148-2
0.604
EDJ-MED-4f4dd660-3
0.600
MAT-POS-4223bc15-24
0.598
EDJ-MED-009f762b-5
0.596
MAT-POS-5cd9ea36-13
0.596
EDJ-MED-4f4dd660-5
0.595
EDJ-MED-c82a5324-2
0.595
PET-UNK-162c14b2-1
0.590
MAT-POS-61f37a1a-12
0.590
NIR-WEI-dcc3321b-6
0.589
PET-UNK-162c14b2-2
0.589
PET-UNK-c6bcc80b-2
0.588
PET-UNK-c6bcc80b-9
0.588
EDJ-MED-ede277f6-10
0.586
PET-UNK-c671f938-1
0.583
PET-UNK-c671f938-5
0.583
MIC-UNK-482af05e-2
0.565
EDJ-MED-54fbebd8-4
0.565
EDJ-MED-e69ed63d-7
0.561
MAT-UNK-35705829-1
0.559
EDJ-MED-e9a22d5d-1
0.556
NIR-WEI-dcc3321b-4
0.553
PET-UNK-5ba9a1cb-3
0.553
RAL-THA-ee48ba5f-5
0.550
MAT-POS-4223bc15-26
0.550
MAT-POS-4223bc15-27
0.550
MAT-POS-4223bc15-28
0.550
EDJ-MED-0186a59b-5
0.549
MAT-POS-e119ab4f-1
0.549
MAT-POS-c7726e07-1
0.549
MAT-POS-c7726e07-2
0.549
MAT-POS-97ec4bd1-3
0.548
EDJ-MED-e69ed63d-13
0.547
EDJ-MED-c40d95bc-1
0.547
RAL-THA-ee48ba5f-4
0.545
EDJ-MED-fa7708b3-1
0.545
RAL-THA-ee48ba5f-1
0.545
MIC-UNK-482af05e-1
0.541
MAT-UNK-04ae9652-1
0.540
RAL-THA-ee48ba5f-2
0.540
MAT-UNK-f490e871-1
0.540
MAT-POS-2e8b2191-10
0.538
PET-UNK-1e13ef09-1
0.537
NIR-WEI-dcc3321b-5
0.537
EDJ-MED-e69ed63d-11
0.534
EDJ-MED-e69ed63d-15
0.534
EDJ-MED-e69ed63d-17
0.534
NIR-WEI-dcc3321b-1
0.532
CLI-TLC-36f34aa2-1
0.530
EDJ-MED-009f762b-1
0.530
MAT-POS-24589f88-16
0.530
EDJ-MED-e69ed63d-1
0.530
EDJ-MED-e69ed63d-3
0.530
RAL-THA-6e4c80cf-1
0.528
MAT-POS-4223bc15-19
0.528
NIR-WEI-dcc3321b-2
0.528
MIC-UNK-51049f1a-4
0.526
PET-UNK-5ba9a1cb-2
0.526
EDJ-MED-be9e6f63-4
0.522
EDJ-MED-7889e8da-4
0.522
EDJ-MED-e69ed63d-6
0.521
EDJ-MED-e69ed63d-9
0.521
NIR-WEI-dcc3321b-3
0.520
MAT-POS-5cd9ea36-24
0.518
RAL-THA-ee48ba5f-6
0.517