Molecular Properties | |
SMILES: | O=C(Nc1ccc(N(Cc2csc(F)c2)C(=O)Cn2nnc3ccccc32)cc1)c1ccccc1 |
MW: | 485.544 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 80.12 |
cLogP: | 5.1176 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RUT-UNI-630c5802-1
0.740
RUT-UNI-630c5802-5
0.697
RUT-UNI-630c5802-13
0.690
ALP-POS-bad7201a-14
0.570
RUT-UNI-630c5802-10
0.558
RUT-UNI-630c5802-12
0.547
ROB-IMP-e811baff-1
0.543
RUT-UNI-630c5802-11
0.542
ALP-POS-c59291d4-2
0.538
ALP-POS-c59291d4-4
0.529
ALP-POS-87c86d55-2
0.523
ALP-POS-c59291d4-3
0.523
ALP-POS-6d04362c-1
0.520
RAL-THA-4a5dabff-1
0.505
PET-UNK-b75fdf9f-1
0.505
ALP-POS-6d04362c-5
0.505
ALP-POS-c59291d4-1
0.495
ALP-POS-d2866bdf-1
0.481
ALP-POS-c0c213c9-6
0.472
RUT-UNI-630c5802-26
0.472
DAR-DIA-093892e4-11
0.472
DAR-DIA-093892e4-7
0.471
ALP-POS-6d04362c-3
0.468
ALP-POS-6d04362c-4
0.468
ALP-POS-bad7201a-5
0.467
ALP-POS-87c86d55-1
0.467
PET-UNK-1901c25b-2
0.463
OLG-UNK-911c2067-1
0.462
MAD-UNK-84a4f939-1
0.459
MAD-UNK-b1ea4171-1
0.459
RUT-UNI-630c5802-24
0.459
DAR-DIA-093892e4-5
0.459
CHO-MSK-00c5269a-1
0.458
CHO-MSK-00c5269a-3
0.458
ALP-POS-6d04362c-2
0.458
ALP-POS-bad7201a-15
0.458
RUT-UNI-630c5802-27
0.450
CHO-MSK-00c5269a-5
0.447
CHO-MSK-00c5269a-4
0.447
DAR-DIA-093892e4-6
0.446
CHO-MSK-00c5269a-2
0.445
ALP-POS-7c842ab8-1
0.442
RUT-UNI-630c5802-25
0.442
DAR-DIA-093892e4-12
0.438
RAL-THA-4a5dabff-2
0.436
RAL-THA-4a5dabff-8
0.435
DAR-DIA-093892e4-3
0.434
DAR-DIA-093892e4-1
0.430
DAR-DIA-093892e4-9
0.430
MAT-POS-ffe83904-1
0.430
DAR-DIA-093892e4-2
0.426
RAL-THA-4a5dabff-3
0.426
EDJ-MED-06d94977-1
0.423
HOL-KAN-47917554-1
0.423
DAR-DIA-093892e4-10
0.422
DAR-DIA-093892e4-8
0.422
ALP-POS-75715966-5
0.420
DAR-DIA-093892e4-4
0.419
ALP-POS-c0c213c9-15
0.414
PET-UNK-7374c256-2
0.413
PET-UNK-1901c25b-3
0.413
MAT-POS-06036648-3
0.412
PET-UNK-b75fdf9f-2
0.409
ALP-POS-c0c213c9-18
0.407
UNK-UNK-2ede4078-81
0.402
HOL-KAN-828c7b64-1
0.402
UNK-UNK-2ede4078-29
0.400
MAT-POS-06036648-5
0.400
ALP-POS-75715966-1
0.385
RUT-UNI-630c5802-2
0.383
ALP-POS-c0c213c9-3
0.381
RUT-UNI-630c5802-14
0.381
RUT-UNI-630c5802-4
0.376
RUT-UNI-630c5802-3
0.376
RUT-UNI-630c5802-16
0.375
UNK-UNK-2ede4078-8
0.375
UNK-UNK-2ede4078-94
0.374
MAR-LAB-ff9967db-4
0.371
MAT-POS-06036648-1
0.369
MAT-POS-06036648-4
0.366
EDJ-MED-06d94977-2
0.364
RUT-UNI-630c5802-6
0.364
MAR-LAB-ff9967db-30
0.364
RUT-UNI-630c5802-15
0.364
MAR-LAB-ca4662a6-7
0.364
RUT-UNI-630c5802-17
0.363
VLA-UCB-34f3ed0c-2
0.362
RUT-UNI-630c5802-22
0.362
MAR-LAB-ff9967db-24
0.359
RUT-UNI-630c5802-8
0.358
RUT-UNI-630c5802-7
0.358
RUT-UNI-630c5802-20
0.357
RUT-UNI-630c5802-21
0.357
RUT-UNI-630c5802-23
0.356
MAT-POS-06036648-6
0.353
WIL-UNI-2e73223c-2
0.352
RUT-UNI-630c5802-18
0.351
RUT-UNI-630c5802-19
0.348
AAR-POS-8a4e0f60-1
0.347
ALP-POS-c0c213c9-13
0.347