Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCn2ccnc2C1 |
MW: | 294.11 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 70.99 |
cLogP: | 1.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BEN-DND-7e92b6ca-6
0.532
EDJ-MED-78f964c8-1
0.531
MAT-POS-916a2c5a-4
0.531
BEN-DND-7e92b6ca-14
0.518
BEN-DND-7e92b6ca-16
0.512
BEN-DND-7e92b6ca-11
0.506
KRI-MAR-d2e3ef86-13
0.506
ERI-UCB-d6de1f3c-1
0.506
KRI-MAR-d2e3ef86-5
0.494
BEN-DND-7e92b6ca-10
0.494
BEN-DND-7e92b6ca-7
0.483
ERI-UCB-a0b0dbcb-2
0.477
ERI-UCB-a0b0dbcb-12
0.473
BEN-DND-7e92b6ca-15
0.472
BEN-DND-7e92b6ca-13
0.472
KRI-MAR-d2e3ef86-7
0.467
NAU-LAT-56d5284e-2
0.467
MAR-UCB-f313ec4d-5
0.462
ALP-POS-3fc1724e-3
0.462
BEN-DND-7e92b6ca-12
0.462
ERI-UCB-a0b0dbcb-3
0.462
MAT-POS-916a2c5a-3
0.457
KRI-MAR-d2e3ef86-4
0.457
ERI-UCB-a0b0dbcb-4
0.457
ERI-UCB-a0b0dbcb-11
0.453
ERI-UCB-a0b0dbcb-14
0.452
KRI-MAR-d2e3ef86-6
0.452
NAU-LAT-56d5284e-3
0.447
EDJ-MED-d1cd9639-1
0.442
ERI-UCB-a0b0dbcb-13
0.438
ERI-UCB-ce40166b-21
0.434
MAT-POS-54c4bf04-4
0.427
NAU-LAT-56d5284e-8
0.426
ERI-UCB-a0b0dbcb-5
0.424
ERI-UCB-a0b0dbcb-9
0.424
ALP-POS-3fc1724e-4
0.422
NAU-LAT-56d5284e-5
0.419
ERI-UCB-a0b0dbcb-8
0.417
ERI-UCB-a0b0dbcb-6
0.412
ERI-UCB-a0b0dbcb-10
0.412
DAR-DIA-53551c05-22
0.409
ERI-UCB-d6de1f3c-8
0.408
MAR-UCB-d1255a91-2
0.402
VLA-UCB-eb340134-4
0.400
ERI-UCB-a0b0dbcb-1
0.398
DAR-DIA-53551c05-20
0.398
MAK-UNK-df1a028e-3
0.398
ERI-UCB-a0b0dbcb-7
0.392
JAN-GHE-82a280f8-1
0.392
VLA-UCB-eb340134-1
0.388
VLA-UCB-eb340134-3
0.380
VLA-UCB-eb340134-2
0.380
MAR-UCB-d1255a91-1
0.377
MAK-UNK-df1a028e-2
0.376
ERI-UCB-d6de1f3c-4
0.366
ALP-UNI-ed5cdfd2-4
0.365
DAR-DIA-53551c05-17
0.363
ERI-UCB-d6de1f3c-3
0.357
ADA-UCB-b1b30a00-1
0.354
KRI-MAR-d2e3ef86-12
0.351
DAR-DIA-53551c05-15
0.350
NAU-LAT-56d5284e-4
0.350
BEN-DND-7e92b6ca-5
0.348
BEN-DND-7e92b6ca-3
0.347
ALP-UNI-ed5cdfd2-7
0.347
KRI-MAR-d2e3ef86-15
0.347
NAU-LAT-56d5284e-7
0.347
DAR-DIA-8e329c92-5
0.346
BEN-DND-7e92b6ca-4
0.337
NAU-LAT-56d5284e-1
0.337
MAT-POS-590ac91e-70
0.333
DAR-DIA-8e329c92-4
0.333
DAR-DIA-8e329c92-7
0.333
NAU-LAT-a5c7d7cb-7
0.333
MAT-UCB-70f7c0f7-3
0.327
ERI-UCB-ce40166b-13
0.324
DAR-DIA-8e329c92-6
0.324
MAT-POS-916a2c5a-2
0.323
ERI-UCB-ce40166b-16
0.321
ALP-UNI-ed5cdfd2-5
0.320
ERI-UCB-ce40166b-17
0.318
ALP-POS-3fc1724e-2
0.318
ALP-POS-05819dc4-1
0.317
MAT-UCB-70f7c0f7-4
0.317
MAT-POS-590ac91e-58
0.317
MAT-POS-54c4bf04-1
0.317
DAR-DIA-8e329c92-9
0.316
ADA-UCB-b1b30a00-2
0.314
MAT-POS-590ac91e-56
0.314
MAT-POS-590ac91e-57
0.314
ALP-UNI-ed5cdfd2-6
0.314
ALP-POS-bea7b391-1
0.311
NAU-LAT-56d5284e-6
0.311
BEN-DND-7e92b6ca-2
0.310
ERI-UCB-ce40166b-14
0.309
MAT-POS-590ac91e-68
0.308
DAR-DIA-8e329c92-8
0.307
ALP-UNI-ed5cdfd2-8
0.307
MAR-UCB-f313ec4d-4
0.307
ALP-POS-3fc1724e-1
0.305