Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccc(F)cc23)CN(CC#N)Cc2ccc(Cl)cc21 |
MW: | 424.11 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.25 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-9bf1291a-5
0.813
PET-UNK-9bf1291a-2
0.705
EDJ-MED-923a35c2-5
0.701
EDJ-MED-841e0cf0-3
0.701
EDJ-MED-670ad2ee-3
0.701
PET-UNK-b566c0b0-8
0.673
MAT-POS-83a7b0a0-1
0.614
EDJ-MED-b1cef252-1
0.614
MAT-POS-89bd6af1-4
0.614
PET-UNK-1b92fa34-6
0.578
PET-UNK-03fd2068-10
0.570
PET-UNK-9bf1291a-3
0.569
PET-UNK-9bf1291a-1
0.567
MIC-UNK-ea4eb352-2
0.567
ALP-POS-5290f14d-1
0.567
PET-UNK-bcc8fd08-5
0.565
EDJ-MED-923a35c2-1
0.561
FRA-DIA-6238d354-1
0.561
PET-UNK-03fd2068-9
0.556
PET-UNK-757f8bc8-1
0.549
EDJ-MED-cf877e1d-2
0.546
PET-UNK-88d26eaf-1
0.546
PET-UNK-757f8bc8-3
0.545
PET-UNK-6da3dcd8-5
0.544
EDJ-MED-b1cef252-2
0.544
MAT-POS-89bd6af1-2
0.544
PET-UNK-6da3dcd8-8
0.544
MAT-POS-83a7b0a0-2
0.544
PET-UNK-757f8bc8-4
0.541
PET-UNK-b78139fa-16
0.539
MAT-POS-a5ef2d74-2
0.538
EDJ-MED-611d11e7-4
0.538
MAT-POS-ec6d90b7-4
0.538
PET-UNK-4d432d33-8
0.536
PET-UNK-4d432d33-4
0.536
PET-UNK-b566c0b0-9
0.536
PET-UNK-6da3dcd8-18
0.534
PET-UNK-c65ea24c-13
0.532
PET-UNK-4b4f2bb7-6
0.528
PET-UNK-9b23ef84-8
0.527
PET-UNK-9b23ef84-12
0.527
PET-UNK-757f8bc8-2
0.526
PET-UNK-6da3dcd8-15
0.525
PET-UNK-b38839dc-22
0.523
PET-UNK-c65ea24c-1
0.523
PET-UNK-f4e47ebd-25
0.519
PET-UNK-162c14b2-2
0.519
PET-UNK-5ad1c31a-3
0.513
PET-UNK-5ad1c31a-9
0.513
PET-UNK-9b23ef84-4
0.513
PET-UNK-4d432d33-3
0.509
PET-UNK-4d432d33-7
0.509
PET-UNK-b38839dc-25
0.509
PET-UNK-1b92fa34-8
0.505
PET-UNK-c65ea24c-7
0.504
PET-UNK-b38839dc-23
0.496
PET-UNK-f4e47ebd-26
0.496
PET-UNK-f4e47ebd-27
0.491
PET-UNK-f4e47ebd-24
0.491
PET-UNK-03fd2068-7
0.486
PET-UNK-b38839dc-26
0.479
PET-UNK-9b23ef84-1
0.477
PET-UNK-5ad1c31a-4
0.474
PET-UNK-5ad1c31a-10
0.474
EDJ-MED-841e0cf0-2
0.474
EDJ-MED-670ad2ee-2
0.474
MIC-UNK-ea4eb352-10
0.474
MAR-UCB-6ab2ec87-3
0.472
PET-UNK-49566573-3
0.470
EDJ-MED-e9a22d5d-2
0.470
PET-UNK-ad758083-1
0.470
PET-UNK-bcc8fd08-2
0.468
PET-UNK-c65ea24c-3
0.468
PET-UNK-1b92fa34-5
0.468
DAR-DIA-9f765dc6-13
0.466
DAR-DIA-9f765dc6-14
0.466
DAR-DIA-9f765dc6-15
0.466
EDJ-MED-923a35c2-4
0.464
PET-UNK-c65ea24c-15
0.464
EDJ-MED-923a35c2-2
0.462
PET-UNK-bcc8fd08-4
0.461
PET-UNK-1abb40f2-2
0.459
PET-UNK-1abb40f2-4
0.459
PET-UNK-c65ea24c-6
0.455
PET-UNK-49566573-4
0.455
PET-UNK-ad758083-2
0.454
EDJ-MED-009f762b-1
0.454
MAT-POS-24589f88-16
0.454
MAT-POS-a334828f-3
0.453
PET-UNK-0d6841fa-1
0.453
EDJ-MED-015fb6b4-1
0.453
MIC-UNK-54748b58-2
0.453
PET-UNK-c65ea24c-9
0.452
PET-UNK-b566c0b0-1
0.451
PET-UNK-c761fc18-6
0.451
PET-UNK-f360ae44-5
0.451
PET-UNK-f360ae44-13
0.451
PET-UNK-c65ea24c-18
0.450
EDJ-MED-009f762b-5
0.448
PET-UNK-b38839dc-21
0.447