Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OCCN2CCOC[C@H]2C)c1 |
MW: | 403.17 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 63.69 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHO-MSK-6e55470f-1
1.000
NAU-LAT-0543f7f2-1
0.613
NAU-LAT-0543f7f2-2
0.600
WIL-MOD-03b86a88-4
0.585
MAT-POS-c9973a83-1
0.580
NAU-LAT-0543f7f2-5
0.574
CHO-MSK-6e55470f-5
0.571
CHO-MSK-6e55470f-8
0.563
CHO-MSK-6e55470f-9
0.563
RAL-THA-6b94ceba-1
0.561
RAL-THA-6b94ceba-2
0.556
CHO-MSK-6e55470f-18
0.546
RAL-THA-6b94ceba-3
0.545
RAL-THA-6b94ceba-4
0.545
WIL-MOD-03b86a88-2
0.543
CHO-MSK-6e55470f-7
0.536
DAR-DIA-23e5a6a0-26
0.535
CHO-MSK-6e55470f-14
0.528
CHO-MSK-6e55470f-16
0.528
WIL-MOD-03b86a88-1
0.525
TRY-UNI-2eddb1ff-7
0.525
CHO-MSK-6e55470f-20
0.523
CHO-MSK-6e55470f-2
0.523
DAR-DIA-23e5a6a0-30
0.520
CHO-MSK-6e55470f-10
0.519
MAT-POS-173a45da-2
0.519
CHO-MSK-6e55470f-11
0.518
CHO-MSK-6e55470f-13
0.514
DAR-DIA-23e5a6a0-24
0.510
CHO-MSK-6e55470f-19
0.509
CHO-MSK-6e55470f-4
0.509
CHO-MSK-6e55470f-22
0.505
RAL-THA-6b94ceba-8
0.500
CHO-MSK-6e55470f-15
0.500
CHO-MSK-6e55470f-21
0.500
CHO-MSK-6e55470f-3
0.500
DAR-DIA-23e5a6a0-22
0.495
CHO-MSK-6e55470f-23
0.491
CHO-MSK-6e55470f-6
0.491
CHO-MSK-6e55470f-12
0.487
DAR-DIA-23e5a6a0-28
0.486
RAL-THA-6b94ceba-5
0.479
RAL-THA-6b94ceba-6
0.479
MAT-POS-e501d84c-1
0.475
CHO-MSK-6e55470f-17
0.474
DAR-DIA-23e5a6a0-25
0.471
DAR-DIA-23e5a6a0-29
0.466
RAL-THA-6b94ceba-15
0.464
MAT-POS-f42f3716-3
0.462
CHO-MSK-6e55470f-24
0.462
MAT-POS-044491d2-2
0.462
RAL-THA-6b94ceba-12
0.459
RAL-THA-6b94ceba-14
0.459
WIL-MOD-03b86a88-3
0.459
RAL-THA-6b94ceba-16
0.459
DAR-DIA-23e5a6a0-23
0.457
MAT-POS-044491d2-1
0.456
NAU-LAT-0543f7f2-7
0.455
RAL-THA-6b94ceba-13
0.454
RAL-THA-6b94ceba-7
0.454
MAT-POS-044491d2-4
0.451
RAL-THA-6b94ceba-9
0.450
NAU-LAT-0543f7f2-6
0.450
MAT-POS-f42f3716-5
0.449
RAL-THA-6b94ceba-11
0.446
WIL-MOD-03b86a88-5
0.444
MAT-POS-044491d2-3
0.442
DAR-DIA-23e5a6a0-21
0.440
WIL-MOD-03b86a88-6
0.440
RAL-THA-6b94ceba-10
0.437
DAR-DIA-23e5a6a0-27
0.435
TRY-UNI-2eddb1ff-2
0.435
EDG-MED-0da5ad92-8
0.435
MAT-POS-044491d2-7
0.433
BAR-COM-0f94fc3d-28
0.431
TRY-UNI-714a760b-6
0.430
MAT-POS-f42f3716-1
0.430
MAT-POS-f42f3716-6
0.429
MAT-POS-f42f3716-7
0.426
MAT-POS-044491d2-5
0.423
ENA-ENA-cf881d10-1
0.423
MAT-POS-f42f3716-4
0.417
MAT-POS-044491d2-6
0.417
EDJ-MED-e58735b6-1
0.417
RAL-THA-901e9a10-5
0.415
EDG-MED-0da5ad92-7
0.408
RAL-THA-901e9a10-1
0.406
SAD-SAT-7d5528d9-1
0.404
RAL-THA-901e9a10-6
0.402
MAT-POS-f42f3716-8
0.402
MAT-POS-f42f3716-9
0.402
MAT-POS-f42f3716-2
0.400
RAL-THA-901e9a10-2
0.398
DAR-DIA-0587064e-2
0.394
DAR-DIA-0587064e-4
0.394
BEN-DND-93268d01-10
0.394
DAR-DIA-0cde14eb-17
0.391
DAR-DIA-0cde14eb-19
0.391
DAR-DIA-0cde14eb-16
0.389
RAL-THA-901e9a10-4
0.387