Molecular Properties | |
SMILES: | O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 |
MW: | 361.14 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 73.48 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source |
AAR-POS-d2a4d1df-1
EDJ-MED-78f964c8-1
0.687
MAT-POS-916a2c5a-4
0.687
BEN-DND-7e92b6ca-10
0.681
KRI-MAR-d2e3ef86-5
0.681
BEN-DND-7e92b6ca-7
0.639
BEN-DND-7e92b6ca-14
0.620
BEN-DND-7e92b6ca-16
0.611
BEN-DND-7e92b6ca-13
0.600
ERI-UCB-a0b0dbcb-14
0.590
ERI-UCB-a0b0dbcb-2
0.587
BEN-DND-7e92b6ca-15
0.579
BEN-DND-7e92b6ca-11
0.579
KRI-MAR-d2e3ef86-13
0.579
KRI-MAR-d2e3ef86-4
0.577
ERI-UCB-a0b0dbcb-12
0.577
MAT-POS-916a2c5a-3
0.577
KRI-MAR-d2e3ef86-7
0.571
ERI-UCB-a0b0dbcb-3
0.564
BEN-DND-7e92b6ca-12
0.564
ALP-POS-3fc1724e-3
0.564
MAR-UCB-f313ec4d-5
0.564
ERI-UCB-a0b0dbcb-4
0.557
EDJ-MED-d1cd9639-1
0.556
KRI-MAR-d2e3ef86-6
0.550
ERI-UCB-a0b0dbcb-11
0.549
ERI-UCB-a0b0dbcb-13
0.549
NAU-LAT-56d5284e-2
0.532
BEN-DND-7e92b6ca-9
0.532
NAU-LAT-56d5284e-3
0.524
ERI-UCB-ce40166b-21
0.506
ERI-UCB-d6de1f3c-1
0.500
NAU-LAT-56d5284e-5
0.494
ALP-POS-3fc1724e-4
0.489
MAK-UNK-df1a028e-3
0.487
MAT-POS-54c4bf04-4
0.482
NAU-LAT-56d5284e-8
0.482
ERI-UCB-a0b0dbcb-9
0.481
ERI-UCB-a0b0dbcb-8
0.471
ERI-UCB-a0b0dbcb-1
0.465
ERI-UCB-a0b0dbcb-6
0.465
ERI-UCB-a0b0dbcb-10
0.465
ERI-UCB-a0b0dbcb-5
0.461
VLA-UCB-eb340134-4
0.452
DAR-DIA-53551c05-22
0.449
ERI-UCB-d6de1f3c-8
0.443
ERI-UCB-a0b0dbcb-7
0.440
VLA-UCB-eb340134-1
0.437
MAT-POS-590ac91e-58
0.435
VLA-UCB-eb340134-3
0.427
JAN-GHE-82a280f8-1
0.425
MAK-UNK-df1a028e-2
0.422
DAR-DIA-53551c05-20
0.417
MAT-POS-590ac91e-56
0.414
MAT-POS-590ac91e-57
0.414
BEN-DND-7e92b6ca-5
0.412
KRI-MAR-d2e3ef86-12
0.412
VLA-UCB-eb340134-2
0.411
MAK-UNK-987948f6-2
0.409
ERI-UCB-d6de1f3c-4
0.406
MAT-POS-590ac91e-70
0.404
MAR-UCB-d1255a91-2
0.404
BEN-DND-7e92b6ca-4
0.400
MAR-UCB-d1255a91-1
0.392
CAR-INS-33b3c115-3
0.384
ERI-UCB-d6de1f3c-3
0.382
NAU-LAT-56d5284e-1
0.379
BEN-DND-7e92b6ca-3
0.376
DAR-DIA-53551c05-17
0.376
KRI-MAR-d2e3ef86-15
0.375
MAT-POS-590ac91e-68
0.374
MAT-POS-590ac91e-61
0.372
ALP-POS-05819dc4-1
0.370
MAT-POS-590ac91e-62
0.368
MAT-POS-916a2c5a-2
0.364
NAU-LAT-56d5284e-4
0.363
MAT-POS-590ac91e-66
0.363
ALP-UNI-ed5cdfd2-7
0.360
GIA-UNK-eaadd1d4-1
0.360
NAU-LAT-56d5284e-7
0.360
MAT-POS-54c4bf04-1
0.356
MAT-POS-590ac91e-69
0.355
ADA-UCB-b1b30a00-1
0.352
MAT-POS-590ac91e-60
0.351
ALP-UNI-ed5cdfd2-4
0.348
MAT-POS-590ac91e-67
0.348
GIA-UNK-5ec6c2b8-1
0.348
NAU-LAT-56d5284e-6
0.348
MAT-POS-590ac91e-65
0.347
NAU-LAT-a5c7d7cb-7
0.344
ALP-UNI-ed5cdfd2-5
0.344
DAR-DIA-8e329c92-5
0.344
DAR-DIA-8e329c92-9
0.341
DAR-DIA-8e329c92-10
0.341
MAT-UCB-70f7c0f7-4
0.341
ALP-POS-3fc1724e-1
0.340
BEN-DND-b89db3f2-5
0.337
EDJ-MED-edeb0d3a-1
0.337
MAT-POS-590ac91e-59
0.337
MAT-POS-590ac91e-64
0.337
MAT-UCB-70f7c0f7-1
0.337