Molecular Properties | |
SMILES: | O=c1c(-c2cncc3ccccc23)cc(C2CCCCC2)cn1-c1cccc(Cl)c1 |
MW: | 414.15 |
Fraction sp3: | 0.23 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 34.89 |
cLogP: | 6.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-5d6f1b43-20
0.583
DAR-DIA-5d6f1b43-18
0.574
DAR-DIA-5d6f1b43-23
0.568
DAR-DIA-5d6f1b43-21
0.557
DAR-DIA-5d6f1b43-30
0.547
DAR-DIA-5d6f1b43-26
0.541
DAR-DIA-5d6f1b43-2
0.534
DAR-DIA-5d6f1b43-28
0.519
DAR-DIA-5d6f1b43-32
0.471
DAR-DIA-5d6f1b43-31
0.471
DAR-DIA-5d6f1b43-24
0.467
DAR-DIA-5d6f1b43-25
0.462
DAR-DIA-5d6f1b43-29
0.461
DAR-DIA-5d6f1b43-33
0.457
DAR-DIA-5d6f1b43-19
0.453
DAR-DIA-5d6f1b43-17
0.452
DAR-DIA-5d6f1b43-14
0.446
DAR-DIA-5d6f1b43-15
0.441
DAR-DIA-5d6f1b43-27
0.438
DAR-DIA-5d6f1b43-16
0.437
DAR-DIA-5d6f1b43-9
0.433
PET-UNK-b870596d-1
0.412
PET-UNK-b870596d-2
0.404
PET-UNK-4dc48bbe-4
0.363
PET-UNK-7be94445-2
0.354
PET-UNK-c9c1e0d8-3
0.352
ERI-UCB-d6de1f3c-7
0.352
PET-UNK-7be94445-1
0.347
ERI-UCB-d6de1f3c-5
0.342
MIC-UNK-c5a20098-1
0.340
MIC-UNK-c5a20098-2
0.340
DAR-DIA-5d6f1b43-1
0.337
ERI-UCB-d6de1f3c-2
0.336
VLA-UCB-1dbca3b4-12
0.336
VLA-UCB-1dbca3b4-3
0.333
DAR-DIA-5d6f1b43-10
0.333
VLA-UCB-1dbca3b4-13
0.333
DAR-DIA-0f7b7cd9-6
0.333
DAR-DIA-0f7b7cd9-7
0.333
ADA-UCB-6c2cb422-6
0.330
MAT-POS-54c4bf04-3
0.330
DAR-DIA-5d6f1b43-12
0.327
ALP-UNI-dbb9503d-2
0.324
PET-UNK-7b413b46-5
0.324
ALP-UNI-dbb9503d-1
0.324
PET-UNK-7b413b46-1
0.324
VLA-UCB-1dbca3b4-17
0.324
PET-UNK-4dc48bbe-6
0.324
MIC-UNK-bcd487e9-2
0.321
GIA-UNK-80c9bc96-1
0.321
DAR-DIA-0f7b7cd9-5
0.321
EDG-MED-5d232de5-7
0.321
EDG-MED-5d232de5-8
0.321
PET-UNK-c9c1e0d8-4
0.321
PET-UNK-94460c07-1
0.321
DAR-DIA-53551c05-12
0.318
MIC-UNK-c5a20098-3
0.318
PET-UNK-7a31b064-1
0.318
PET-UNK-689df078-3
0.318
MAT-POS-24589f88-14
0.315
BEN-DND-d1eb1f41-7
0.315
DAR-DIA-f6ee7aeb-6
0.314
PET-UNK-689df078-1
0.312
VLA-UCB-1dbca3b4-18
0.312
VLA-UCB-1dbca3b4-10
0.312
PET-UNK-abc197b8-1
0.312
VLA-UCB-1dbca3b4-6
0.311
PET-UNK-7b413b46-2
0.311
PET-UNK-7b413b46-6
0.311
MIC-UNK-9582b2c5-3
0.311
MAT-POS-173a45da-1
0.310
ERI-UCB-d6de1f3c-6
0.309
MIC-UNK-9582b2c5-2
0.308
MIC-UNK-cdc2493e-14
0.308
MIC-UNK-02d7a284-3
0.308
PET-UNK-a17c93d1-1
0.308
VLA-MRT-8c78ee15-1
0.307
VLA-MRT-8c78ee15-2
0.307
EDJ-MED-c314995a-1
0.307
VLA-UCB-05e51b3f-14
0.307
VLA-MRT-a639d434-3
0.307
PET-UNK-3e354a91-1
0.306
PET-UNK-7b413b46-8
0.306
EDJ-MED-96f6b92c-1
0.306
PET-UNK-5ddd54c7-2
0.306
PET-UNK-7b413b46-4
0.306
PET-UNK-7b413b46-7
0.304
MIC-UNK-bcd487e9-3
0.304
PET-UNK-7b413b46-3
0.304
PET-UNK-689df078-4
0.303
DAR-DIA-b80f1cd7-1
0.303
DAR-DIA-5d6f1b43-4
0.303
DAR-DIA-5d6f1b43-11
0.303
PET-UNK-e8933450-1
0.303
DAR-DIA-b80f1cd7-9
0.303
DAR-DIA-5d6f1b43-5
0.302
VLA-UCB-34f3ed0c-6
0.302
MIC-UNK-0a05c952-1
0.301
BEN-DND-d1eb1f41-15
0.300
MIC-UNK-c66144cb-3
0.299