Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCC(N2CCOc3ccccc32)C1 |
MW: | 375.16 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.64 |
cLogP: | 2.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-916a2c5a-4
ERI-UCB-a0b0dbcb-10
0.793
ERI-UCB-a0b0dbcb-6
0.455
BEN-DND-7e92b6ca-16
0.442
MAT-POS-54c4bf04-4
0.441
BEN-DND-7e92b6ca-6
0.440
ERI-UCB-a0b0dbcb-5
0.438
NAU-LAT-56d5284e-2
0.434
MAT-POS-916a2c5a-4
0.426
EDJ-MED-78f964c8-1
0.426
BEN-DND-7e92b6ca-13
0.424
NAU-LAT-56d5284e-3
0.417
BEN-DND-7e92b6ca-14
0.417
MAK-UNK-df1a028e-3
0.414
BEN-DND-7e92b6ca-10
0.412
KRI-MAR-d2e3ef86-5
0.412
ERI-UCB-a0b0dbcb-9
0.410
ERI-UCB-a0b0dbcb-14
0.408
KRI-MAR-d2e3ef86-7
0.406
BEN-DND-7e92b6ca-7
0.404
ERI-UCB-a0b0dbcb-3
0.402
ERI-UCB-a0b0dbcb-2
0.400
NAU-LAT-56d5284e-8
0.398
ERI-UCB-a0b0dbcb-12
0.398
ERI-UCB-d6de1f3c-8
0.396
KRI-MAR-d2e3ef86-13
0.396
BEN-DND-7e92b6ca-11
0.396
BEN-DND-7e92b6ca-15
0.396
BEN-DND-7e92b6ca-9
0.392
ERI-UCB-a0b0dbcb-8
0.390
BEN-DND-7e92b6ca-12
0.388
MAR-UCB-f313ec4d-5
0.388
ALP-POS-3fc1724e-3
0.388
EDJ-MED-d1cd9639-1
0.387
ERI-UCB-d6de1f3c-1
0.385
ERI-UCB-a0b0dbcb-4
0.385
MAT-POS-916a2c5a-3
0.385
KRI-MAR-d2e3ef86-4
0.385
ERI-UCB-a0b0dbcb-11
0.383
ERI-UCB-a0b0dbcb-13
0.383
ERI-UCB-ce40166b-21
0.382
DAR-DIA-53551c05-22
0.381
KRI-MAR-d2e3ef86-6
0.381
NAU-LAT-56d5284e-5
0.379
VLA-UCB-eb340134-4
0.375
ERI-UCB-d6de1f3c-3
0.373
ERI-UCB-d6de1f3c-4
0.370
VLA-UCB-eb340134-1
0.364
ERI-UCB-a0b0dbcb-1
0.361
ALP-POS-3fc1724e-4
0.360
DAR-DIA-53551c05-20
0.359
VLA-UCB-eb340134-3
0.358
MAR-UCB-d1255a91-1
0.357
JAN-GHE-82a280f8-1
0.355
ALP-POS-bea7b391-1
0.355
MAK-UNK-df1a028e-2
0.355
MAT-POS-54c4bf04-1
0.349
NAU-LAT-56d5284e-1
0.343
KRI-MAR-d2e3ef86-12
0.343
DAR-DIA-53551c05-17
0.342
MAR-UCB-d1255a91-2
0.342
VLA-UCB-eb340134-2
0.333
JAN-GHE-82a280f8-2
0.333
NAU-LAT-56d5284e-4
0.330
NAU-LAT-56d5284e-7
0.327
DAR-DIA-53551c05-15
0.323
ALP-UNI-ed5cdfd2-4
0.318
KRI-MAR-d2e3ef86-15
0.315
MAT-POS-590ac91e-48
0.310
JAN-GHE-82a280f8-3
0.310
MAT-POS-590ac91e-49
0.308
NAU-LAT-56d5284e-6
0.306
BEN-DND-7e92b6ca-4
0.304
DAR-DIA-8e329c92-4
0.304
MAT-POS-590ac91e-54
0.303
BEN-DND-7e92b6ca-5
0.301
MAT-UCB-70f7c0f7-4
0.300
ADA-UCB-b1b30a00-1
0.297
DAR-DIA-53551c05-21
0.291
BEN-DND-7e92b6ca-3
0.290
DAR-DIA-8e329c92-10
0.288
MAT-UCB-70f7c0f7-3
0.287
ADA-UCB-b1b30a00-2
0.287
MAT-UCB-70f7c0f7-2
0.287
DAR-DIA-8e329c92-8
0.282
DAR-DIA-8e329c92-5
0.282
BEN-DND-7e92b6ca-2
0.282
ALP-UNI-ed5cdfd2-5
0.279
ALP-UNI-ed5cdfd2-8
0.279
ALP-UNI-ed5cdfd2-7
0.278
MAT-UCB-70f7c0f7-1
0.277
VLA-UCB-05e51b3f-18
0.276
NAU-LAT-b7d8c353-3
0.276
EDJ-MED-edeb0d3a-1
0.276
BEN-DND-b89db3f2-5
0.276
FRA-DIA-e29753f2-1
0.276
JAG-UCB-c61058a9-45
0.276
BEN-DND-b89db3f2-1
0.276
VLA-UCB-50c39ae8-11
0.276
DAR-DIA-8e329c92-9
0.275
ERI-UCB-ce40166b-13
0.275