Molecular Properties | |
SMILES: | O=C(Nc1ccc(N(Cc2cc(F)co2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1 |
MW: | 469.476 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 93.26 |
cLogP: | 4.6491 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RUT-UNI-630c5802-9
0.690
RUT-UNI-630c5802-1
0.660
RUT-UNI-630c5802-5
0.653
RUT-UNI-630c5802-14
0.558
RUT-UNI-630c5802-15
0.547
RUT-UNI-630c5802-16
0.547
ALP-POS-bad7201a-14
0.529
ALP-POS-87c86d55-2
0.500
ALP-POS-6d04362c-1
0.480
ROB-IMP-e811baff-1
0.477
ALP-POS-c59291d4-2
0.473
ALP-POS-6d04362c-5
0.467
ALP-POS-c59291d4-4
0.462
ALP-POS-c59291d4-3
0.460
ALP-POS-87c86d55-1
0.443
EDJ-MED-06d94977-1
0.441
RAL-THA-4a5dabff-1
0.437
DAR-DIA-093892e4-7
0.434
ALP-POS-c59291d4-1
0.431
PET-UNK-7374c256-2
0.430
PET-UNK-1901c25b-3
0.430
OLG-UNK-911c2067-1
0.426
PET-UNK-b75fdf9f-1
0.425
DAR-DIA-093892e4-11
0.423
MAD-UNK-b1ea4171-1
0.423
MAD-UNK-84a4f939-1
0.423
RUT-UNI-630c5802-26
0.423
DAR-DIA-093892e4-5
0.423
CHO-MSK-00c5269a-3
0.422
ALP-POS-bad7201a-15
0.422
ALP-POS-6d04362c-2
0.422
CHO-MSK-00c5269a-1
0.422
ALP-POS-c0c213c9-15
0.418
ALP-POS-d2866bdf-1
0.417
MAT-POS-06036648-3
0.416
CHO-MSK-00c5269a-4
0.414
CHO-MSK-00c5269a-5
0.414
DAR-DIA-093892e4-6
0.412
DAR-DIA-093892e4-3
0.412
ALP-POS-c0c213c9-6
0.411
CHO-MSK-00c5269a-2
0.411
ALP-POS-c0c213c9-18
0.411
ALP-POS-6d04362c-4
0.409
ALP-POS-6d04362c-3
0.409
ALP-POS-7c842ab8-1
0.409
ALP-POS-bad7201a-5
0.405
MAT-POS-06036648-5
0.404
DAR-DIA-093892e4-12
0.404
PET-UNK-1901c25b-2
0.402
DAR-DIA-093892e4-8
0.402
RUT-UNI-630c5802-24
0.398
MAR-LAB-ff9967db-4
0.397
DAR-DIA-093892e4-1
0.397
DAR-DIA-093892e4-9
0.397
DAR-DIA-093892e4-2
0.393
RUT-UNI-630c5802-27
0.391
UNK-UNK-2ede4078-94
0.390
DAR-DIA-093892e4-10
0.390
RUT-UNI-630c5802-25
0.387
DAR-DIA-093892e4-4
0.387
ALP-POS-75715966-5
0.386
ALP-POS-c0c213c9-3
0.385
RAL-THA-4a5dabff-3
0.378
RAL-THA-4a5dabff-8
0.378
UNK-UNK-2ede4078-8
0.378
VLA-UCB-34f3ed0c-2
0.377
RAL-THA-4a5dabff-2
0.377
MAT-POS-ffe83904-1
0.376
MAT-POS-06036648-1
0.373
ALP-POS-c0c213c9-13
0.372
MAT-POS-06036648-4
0.369
UNK-UNK-2ede4078-29
0.369
MAR-LAB-ca4662a6-7
0.367
UNK-UNK-2ede4078-81
0.367
RUT-UNI-630c5802-10
0.364
ALP-POS-75715966-1
0.364
PET-UNK-b75fdf9f-2
0.363
HOL-KAN-828c7b64-1
0.360
RUT-UNI-630c5802-12
0.358
MAT-POS-06036648-6
0.356
WIL-UNI-2e73223c-2
0.355
RUT-UNI-630c5802-11
0.355
EDJ-MED-06d94977-2
0.355
AAR-POS-8a4e0f60-7
0.353
MAR-LAB-ff9967db-24
0.350
HOL-KAN-47917554-1
0.349
DAR-DIA-667e571f-6
0.346
RUT-UNI-630c5802-6
0.345
MAR-LAB-ff9967db-30
0.345
DAR-DIA-667e571f-5
0.343
BEN-DND-02317c5c-12
0.343
MAT-POS-bfb445d4-1
0.343
MAT-POS-3b92565d-14
0.343
BEN-DND-61647d40-12
0.343
RUT-UNI-630c5802-2
0.339
RUT-UNI-630c5802-7
0.339
RUT-UNI-630c5802-8
0.339
RUT-UNI-630c5802-3
0.333
RUT-UNI-630c5802-4
0.333
BEN-DND-61647d40-2
0.333