Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)N(CCC1CCCCC1)c1cccc(Cl)c1 |
MW: | 396.17 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 51.02 |
cLogP: | 5.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-667e571f-7
0.653
DAR-DIA-093892e4-12
0.520
CHO-MSK-00c5269a-1
0.516
DAR-DIA-093892e4-11
0.515
ALP-POS-bad7201a-15
0.500
CHO-MSK-00c5269a-5
0.500
CHO-MSK-00c5269a-3
0.500
ALP-POS-6d04362c-2
0.500
OLG-UNK-911c2067-1
0.490
MAT-POS-06036648-1
0.489
CHO-MSK-00c5269a-2
0.485
MAT-POS-06036648-5
0.479
MAT-POS-173a45da-1
0.475
EDJ-MED-06d94977-2
0.473
CHO-MSK-00c5269a-4
0.471
ALP-POS-75715966-5
0.470
DAR-DIA-093892e4-7
0.469
DAR-DIA-093892e4-2
0.462
MAT-POS-06036648-3
0.461
PET-UNK-b75fdf9f-1
0.458
ALP-POS-75715966-1
0.456
MAT-POS-136e7878-1
0.444
DAR-DIA-093892e4-8
0.443
DAR-DIA-093892e4-10
0.443
DAR-DIA-093892e4-6
0.442
DAR-DIA-093892e4-3
0.442
DAR-DIA-093892e4-1
0.438
DAR-DIA-667e571f-4
0.435
MAT-POS-3b92565d-13
0.430
JOR-UNI-2fc98d0b-12
0.429
MAT-POS-bfb445d4-1
0.429
BEN-DND-02317c5c-12
0.429
BEN-DND-61647d40-12
0.429
MAT-POS-3b92565d-14
0.429
EDJ-MED-c314995a-1
0.427
VLA-UCB-05e51b3f-14
0.427
DAR-DIA-093892e4-5
0.427
ALP-POS-6d04362c-1
0.427
DAR-DIA-093892e4-4
0.426
DAR-DIA-093892e4-9
0.425
ALP-POS-c59291d4-1
0.422
ALP-POS-87c86d55-1
0.420
DAR-DIA-667e571f-2
0.416
VLA-UCB-05e51b3f-8
0.416
VLA-UCB-50c39ae8-5
0.416
MAT-UCB-93f6aed8-2
0.415
MAR-LAB-ca4662a6-7
0.414
MAT-POS-06036648-2
0.413
MAD-UNK-b1ea4171-1
0.413
MAD-UNK-84a4f939-1
0.413
RAL-THA-4a5dabff-1
0.412
ALP-POS-c0c213c9-3
0.411
ALP-POS-6d04362c-3
0.411
ALP-POS-7c842ab8-1
0.411
DAR-DIA-667e571f-3
0.409
ALP-POS-bad7201a-14
0.408
ALP-POS-d2866bdf-1
0.406
PET-UNK-1901c25b-3
0.406
PET-UNK-7374c256-2
0.406
RUT-UNI-630c5802-17
0.406
MAT-POS-06036648-6
0.406
RUT-UNI-630c5802-27
0.406
ANT-DIA-62e4526e-1
0.404
ALP-POS-6d04362c-5
0.404
WIL-UNI-2e73223c-2
0.404
PET-UNK-b75fdf9f-2
0.402
ALP-POS-c59291d4-3
0.400
ALP-POS-c0c213c9-6
0.400
RUT-UNI-630c5802-25
0.400
RUT-UNI-630c5802-26
0.400
MAR-LAB-ff9967db-38
0.398
ALP-POS-87c86d55-2
0.398
ALP-POS-c59291d4-4
0.398
RUT-UNI-630c5802-20
0.398
DAR-DIA-667e571f-5
0.397
ALP-POS-c0c213c9-13
0.396
ALP-POS-bad7201a-5
0.394
ALP-POS-c0c213c9-15
0.394
MIC-UNK-cdc2493e-1
0.394
MAT-POS-06036648-4
0.393
MAR-LAB-ff9967db-30
0.393
RAL-THA-4a5dabff-3
0.392
UNK-UNK-2ede4078-94
0.392
UNK-UNK-2ede4078-8
0.391
PET-UNK-1901c25b-2
0.390
RAL-THA-4a5dabff-2
0.390
RUT-UNI-630c5802-22
0.390
DAR-DIA-667e571f-6
0.388
EDJ-MED-06d94977-1
0.388
ALP-POS-c0c213c9-18
0.387
RUT-UNI-630c5802-24
0.387
ALP-POS-c59291d4-2
0.385
ALP-POS-6d04362c-4
0.385
UNK-UNK-2ede4078-81
0.380
MAT-POS-06036648-9
0.380
RUT-UNI-630c5802-13
0.377
ROB-IMP-e811baff-1
0.376
MAR-LAB-ff9967db-4
0.374
RUT-UNI-630c5802-21
0.371
RAL-THA-4a5dabff-8
0.366