Molecular Properties | |
SMILES: | CC(=O)N1CCN(c2cc(-c3cncc4ccccc34)c(=O)n(-c3cccc(Cl)c3)c2C)CC1 |
MW: | 472.17 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 58.44 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-17
0.802
DAR-DIA-5d6f1b43-14
0.613
DAR-DIA-5d6f1b43-20
0.592
DAR-DIA-5d6f1b43-21
0.582
DAR-DIA-5d6f1b43-15
0.573
DAR-DIA-5d6f1b43-16
0.567
DAR-DIA-5d6f1b43-9
0.521
DAR-DIA-5d6f1b43-18
0.476
DAR-DIA-5d6f1b43-23
0.457
DAR-DIA-5d6f1b43-22
0.453
DAR-DIA-5d6f1b43-2
0.433
DAR-DIA-5d6f1b43-26
0.422
PET-UNK-b870596d-1
0.410
MAT-POS-54c4bf04-3
0.410
PET-UNK-b870596d-2
0.402
DAR-DIA-5d6f1b43-33
0.402
MIC-UNK-9582b2c5-2
0.400
DAR-DIA-5d6f1b43-28
0.397
DAR-DIA-5d6f1b43-30
0.388
DAR-DIA-0f7b7cd9-6
0.386
DAR-DIA-5d6f1b43-24
0.386
ERI-UCB-d6de1f3c-7
0.376
DAR-DIA-5d6f1b43-32
0.375
DAR-DIA-5d6f1b43-31
0.375
NIR-THE-590dedc7-1
0.370
MIC-UNK-6ab519a7-1
0.370
NAU-LAT-a5c7d7cb-2
0.370
MIC-UNK-5a93dd5f-10
0.370
DAR-DIA-5d6f1b43-25
0.368
MIC-UNK-9582b2c5-3
0.368
PET-UNK-7be94445-2
0.366
MIC-UNK-02d7a284-1
0.362
ERI-UCB-d6de1f3c-2
0.361
PET-UNK-94460c07-1
0.358
DAR-DIA-5d6f1b43-29
0.354
MIC-UNK-02d7a284-3
0.353
MIC-UNK-c5a20098-1
0.352
PET-UNK-e8933450-1
0.352
MIC-UNK-cdc2493e-17
0.348
PET-UNK-7be94445-1
0.346
DAR-DIA-0f7b7cd9-7
0.346
DAR-DIA-6a49afbe-4
0.342
MIC-UNK-9582b2c5-1
0.342
DAR-DIA-5d6f1b43-27
0.341
ERI-UCB-d6de1f3c-5
0.341
MIC-UNK-c5a20098-2
0.339
MIC-UNK-cdc2493e-18
0.339
MIC-UNK-d854bf4c-3
0.336
MIC-UNK-d854bf4c-1
0.336
MIC-UNK-b9827f26-5
0.333
VLA-UCB-1dbca3b4-3
0.333
VLA-UCB-1dbca3b4-13
0.333
DAR-DIA-5d6f1b43-3
0.333
DAR-DIA-53551c05-12
0.330
MIC-UNK-c5a20098-3
0.330
PET-UNK-94460c07-2
0.327
PET-UNK-4dc48bbe-4
0.324
MAT-POS-d8472c4f-1
0.321
MAT-POS-8695a11f-1
0.321
MAT-POS-8695a11f-3
0.321
DAR-DIA-0f7b7cd9-5
0.321
ERI-UCB-d6de1f3c-6
0.320
EDJ-MED-2791eece-2
0.319
EDJ-MED-b774e9fe-1
0.319
DAR-DIA-5d6f1b43-8
0.318
PET-UNK-8922bd3c-1
0.317
PET-UNK-9b23ef84-2
0.316
MIC-UNK-b9827f26-4
0.316
MAT-POS-dd3ad2b5-2
0.316
PET-UNK-c9c1e0d8-3
0.315
MIC-UNK-02d7a284-2
0.315
NAU-LAT-2fed8305-1
0.314
ALP-UNI-dbb9503d-1
0.312
VLA-UCB-1dbca3b4-6
0.312
DAR-DIA-5d6f1b43-1
0.312
VLA-UCB-05e51b3f-1
0.311
BEN-DND-6de5dfa0-11
0.311
NIR-THE-d08c3b48-1
0.311
NAU-LAT-a5c7d7cb-1
0.311
ALP-POS-6747fa38-1
0.311
MIC-UNK-5a93dd5f-2
0.310
MAT-POS-173a45da-1
0.310
MIC-UNK-45817b9b-2
0.310
DAR-DIA-5d6f1b43-10
0.310
EDJ-MED-cf4b0d25-4
0.309
DAR-DIA-6a49afbe-1
0.308
EDJ-MED-96f6b92c-1
0.307
NAU-LAT-4ce8bf23-3
0.306
MIC-UNK-d36ab305-1
0.304
DAR-DIA-5d6f1b43-12
0.304
MAR-UCB-6ab2ec87-7
0.304
DAR-DIA-f6ee7aeb-6
0.304
MAR-UCB-f313ec4d-6
0.304
BEN-DND-d1eb1f41-7
0.304
MAT-POS-24589f88-14
0.304
DAR-DIA-5d6f1b43-11
0.304
DAR-DIA-5d6f1b43-5
0.303
MIC-UNK-b9827f26-3
0.302
ALP-UNI-dbb9503d-2
0.302
MIC-UNK-91acba05-2
0.302