Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)[C@@H]1CCOc2c(OC3CC4(CC4)N3)cc(Cl)cc21 |
MW: | 399.13 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 72.48 |
cLogP: | 3.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-12
0.931
DAR-DIA-23e5a6a0-13
0.876
DAR-DIA-23e5a6a0-11
0.798
DAR-DIA-23e5a6a0-14
0.753
DAR-DIA-23e5a6a0-5
0.660
DAR-DIA-23e5a6a0-20
0.624
DAR-DIA-23e5a6a0-2
0.617
DAR-DIA-23e5a6a0-17
0.590
DAR-DIA-23e5a6a0-3
0.583
DAR-DIA-23e5a6a0-18
0.566
DAR-DIA-23e5a6a0-16
0.550
DAR-DIA-23e5a6a0-19
0.532
DAR-DIA-23e5a6a0-1
0.526
VLA-UCB-05e51b3f-11
0.518
VLA-UCB-50c39ae8-8
0.518
JAN-GHE-f4ca5a00-13
0.510
DAR-DIA-6a508060-6
0.510
MAT-POS-b3e365b9-3
0.510
BRU-CON-c4e3408a-1
0.510
MAT-POS-b3e365b9-4
0.510
DAR-DIA-23e5a6a0-4
0.496
DAR-DIA-23e5a6a0-30
0.485
JAG-UCB-c61058a9-40
0.477
BAR-COM-df4db19c-1
0.477
ADA-UCB-b1b30a00-10
0.477
ALP-POS-beec22ab-1
0.477
EDJ-MED-e4b030d8-4
0.455
DAR-DIA-23e5a6a0-24
0.449
EDJ-MED-e4b030d8-7
0.436
DAR-DIA-6a508060-4
0.436
MAT-POS-43fe65f4-1
0.436
RAL-THA-05e671eb-19
0.436
DAR-DIA-23e5a6a0-26
0.431
ADA-UCB-6c2cb422-2
0.426
DAR-DIA-23e5a6a0-29
0.421
DAR-DIA-0587064e-12
0.417
MAT-POS-5369c344-4
0.417
MAT-POS-5369c344-1
0.414
DAR-DIA-0587064e-15
0.414
DAR-DIA-23e5a6a0-22
0.411
BAR-COM-ace1b61b-3
0.411
DAR-DIA-0587064e-17
0.410
DAR-DIA-23e5a6a0-10
0.408
TRY-UNI-2eddb1ff-7
0.407
WIL-MOD-03b86a88-1
0.407
RAL-THA-05e671eb-18
0.405
DAR-DIA-23e5a6a0-28
0.404
LAU-MED-88a3970a-2
0.402
LAU-MED-88a3970a-1
0.402
MAT-POS-5369c344-5
0.402
MAT-POS-5369c344-7
0.402
DAR-DIA-23e5a6a0-23
0.400
DAR-DIA-0587064e-10
0.397
MAT-POS-5369c344-2
0.397
MAT-POS-5369c344-6
0.395
LAU-MED-88a3970a-4
0.395
LAU-MED-88a3970a-3
0.395
KAD-UNI-877d7bed-12
0.394
MAT-POS-e478a234-1
0.391
NAU-LAT-0543f7f2-10
0.390
WIL-MOD-03b86a88-4
0.389
DAR-DIA-23e5a6a0-7
0.387
DAR-DIA-0587064e-20
0.387
KAD-UNI-877d7bed-15
0.386
MAT-POS-590ac91e-21
0.385
MAT-POS-5369c344-3
0.385
DAR-DIA-0587064e-19
0.385
ALP-POS-ce760d3f-1
0.384
DAR-DIA-0587064e-22
0.379
DAR-DIA-0587064e-24
0.378
MAK-UNK-919546f0-1
0.376
MAK-UNK-f481d203-1
0.376
MAK-UNK-f481d203-2
0.376
DAR-DIA-23e5a6a0-25
0.375
KAD-UNI-877d7bed-10
0.375
KAD-UNI-877d7bed-14
0.374
KAD-UNI-877d7bed-20
0.374
KAD-UNI-877d7bed-17
0.374
KAD-UNI-877d7bed-7
0.372
KAD-UNI-877d7bed-8
0.372
KAD-UNI-877d7bed-1
0.370
KAD-UNI-877d7bed-16
0.370
RAL-THA-901e9a10-8
0.369
TRY-UNI-2eddb1ff-8
0.369
KAD-UNI-877d7bed-19
0.369
DAR-DIA-23e5a6a0-8
0.368
KAD-UNI-877d7bed-6
0.366
DAR-DIA-6a508060-12
0.365
KAD-UNI-877d7bed-18
0.364
LAU-MED-88a3970a-11
0.364
ERI-UCB-9c7ec71b-2
0.364
LAU-MED-88a3970a-12
0.364
EDJ-MED-e9694d2b-1
0.364
KAD-UNI-877d7bed-11
0.364
MAR-UCB-ad2ff052-1
0.363
ALP-UNI-3735e77e-2
0.363
RAL-THA-05e671eb-16
0.363
DAR-DIA-23e5a6a0-21
0.362
KAD-UNI-877d7bed-5
0.361
DAR-DIA-23e5a6a0-6
0.359