Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)C1=O |
MW: | 367.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 73.48 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
MAR-UCB-d1255a91-2
0.636
ERI-UCB-d6de1f3c-1
0.627
JAN-GHE-82a280f8-1
0.619
MAR-UCB-d1255a91-1
0.615
ERI-UCB-a0b0dbcb-2
0.578
NAU-LAT-56d5284e-5
0.565
MAT-POS-54c4bf04-4
0.533
VLA-UCB-eb340134-2
0.527
VLA-UCB-eb340134-1
0.522
ERI-UCB-a0b0dbcb-12
0.517
NAU-LAT-56d5284e-2
0.511
ERI-UCB-d6de1f3c-8
0.511
VLA-UCB-eb340134-3
0.511
NAU-LAT-56d5284e-1
0.500
NAU-LAT-56d5284e-8
0.500
NAU-LAT-56d5284e-3
0.489
EDJ-MED-78f964c8-1
0.471
MAT-POS-916a2c5a-4
0.471
NAU-LAT-56d5284e-4
0.462
NAU-LAT-56d5284e-7
0.462
ERI-UCB-a0b0dbcb-3
0.457
BEN-DND-7e92b6ca-12
0.457
MAR-UCB-f313ec4d-5
0.457
ERI-UCB-d6de1f3c-4
0.453
EDJ-MED-d1cd9639-1
0.453
BEN-DND-7e92b6ca-6
0.452
BEN-DND-7e92b6ca-15
0.451
NAU-LAT-56d5284e-6
0.447
ERI-UCB-d6de1f3c-3
0.443
DAR-DIA-53551c05-17
0.443
BEN-DND-7e92b6ca-14
0.443
BEN-DND-7e92b6ca-10
0.438
KRI-MAR-d2e3ef86-5
0.438
ERI-UCB-a0b0dbcb-1
0.438
ERI-UCB-a0b0dbcb-4
0.436
BEN-DND-7e92b6ca-16
0.422
DAR-DIA-53551c05-22
0.420
BEN-DND-7e92b6ca-13
0.419
BEN-DND-7e92b6ca-11
0.419
KRI-MAR-d2e3ef86-13
0.419
ERI-UCB-ce40166b-21
0.416
NAU-LAT-a5c7d7cb-7
0.415
KRI-MAR-d2e3ef86-7
0.415
BEN-DND-7e92b6ca-7
0.413
MAK-UNK-df1a028e-3
0.409
JAN-GHE-82a280f8-2
0.404
JAN-GHE-82a280f8-3
0.404
ERI-UCB-a0b0dbcb-14
0.402
KRI-MAR-d2e3ef86-6
0.402
BEN-DND-7e92b6ca-9
0.400
ERI-UCB-a0b0dbcb-8
0.398
ALP-POS-3fc1724e-3
0.396
DAR-DIA-53551c05-20
0.394
KRI-MAR-d2e3ef86-4
0.392
MAT-POS-916a2c5a-3
0.392
ALP-POS-3fc1724e-4
0.390
ERI-UCB-a0b0dbcb-13
0.390
ERI-UCB-a0b0dbcb-11
0.390
ERI-UCB-a0b0dbcb-9
0.389
ERI-UCB-a0b0dbcb-6
0.380
ERI-UCB-a0b0dbcb-10
0.380
ERI-UCB-a0b0dbcb-5
0.379
ERI-UCB-a0b0dbcb-7
0.375
ALP-POS-bea7b391-1
0.373
KRI-MAR-d2e3ef86-15
0.371
ALP-POS-05819dc4-1
0.366
KRI-MAR-d2e3ef86-12
0.361
ROB-UNI-daaf9793-1
0.359
MAT-POS-e1b5ac6b-1
0.359
ALP-POS-ddb41b15-3
0.355
PET-UNK-7be94445-2
0.355
BEN-DND-b89db3f2-5
0.350
EDJ-MED-edeb0d3a-1
0.350
MAK-UNK-df1a028e-2
0.346
ALP-POS-ddb41b15-1
0.345
BEN-DND-7e92b6ca-5
0.344
ALP-POS-fc6c627f-3
0.343
DAR-DIA-8e329c92-10
0.340
ALP-POS-3fc1724e-1
0.340
ERI-UCB-d6de1f3c-2
0.337
DAR-DIA-53551c05-15
0.336
ALP-POS-ddb41b15-2
0.333
ALP-POS-ddb41b15-4
0.333
PET-UNK-7be94445-1
0.333
VLA-UCB-1dbca3b4-13
0.333
BEN-DND-7e92b6ca-4
0.333
ALP-POS-3fc1724e-2
0.327
ERI-UCB-ce40166b-17
0.327
MAT-POS-590ac91e-69
0.327
DAR-DIA-8e329c92-9
0.327
MAT-UCB-70f7c0f7-1
0.324
ADA-UCB-b1b30a00-1
0.324
ERI-UCB-ce40166b-19
0.321
MAT-POS-3b536971-2
0.320
ALP-UNI-ed5cdfd2-4
0.320
MAT-POS-916a2c5a-2
0.320
PET-UNK-4dc48bbe-2
0.319
ERI-UCB-ce40166b-18
0.319
DAR-DIA-8e329c92-5
0.318
MAT-POS-590ac91e-70
0.317