Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)c2cnoc21 |
MW: | 406.08 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 82.44 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
MAR-UCB-d1255a91-2
0.635
VLA-UCB-eb340134-4
0.615
ERI-UCB-d6de1f3c-1
0.542
JAN-GHE-82a280f8-1
0.520
ERI-UCB-a0b0dbcb-2
0.500
VLA-UCB-eb340134-2
0.476
NAU-LAT-56d5284e-5
0.475
MAT-POS-54c4bf04-4
0.466
ERI-UCB-a0b0dbcb-12
0.465
ERI-UCB-d6de1f3c-8
0.462
VLA-UCB-eb340134-1
0.456
VLA-UCB-eb340134-3
0.448
NAU-LAT-56d5284e-2
0.446
NAU-LAT-56d5284e-3
0.442
NAU-LAT-56d5284e-8
0.437
NAU-LAT-56d5284e-1
0.436
ERI-UCB-a0b0dbcb-3
0.427
NAU-LAT-56d5284e-6
0.419
ERI-UCB-d6de1f3c-4
0.415
EDJ-MED-d1cd9639-1
0.411
EDJ-MED-78f964c8-1
0.408
MAT-POS-916a2c5a-4
0.408
NAU-LAT-56d5284e-4
0.406
NAU-LAT-56d5284e-7
0.404
DAR-DIA-53551c05-17
0.404
ERI-UCB-a0b0dbcb-4
0.396
ERI-UCB-d6de1f3c-3
0.395
BEN-DND-7e92b6ca-15
0.394
BEN-DND-7e92b6ca-6
0.392
MAR-UCB-f313ec4d-5
0.387
BEN-DND-7e92b6ca-12
0.387
BEN-DND-7e92b6ca-14
0.386
BEN-DND-7e92b6ca-16
0.382
KRI-MAR-d2e3ef86-5
0.382
BEN-DND-7e92b6ca-10
0.382
BEN-DND-7e92b6ca-13
0.381
BEN-DND-7e92b6ca-9
0.377
NAU-LAT-a5c7d7cb-7
0.377
KRI-MAR-d2e3ef86-7
0.377
BEN-DND-7e92b6ca-7
0.375
ERI-UCB-a0b0dbcb-10
0.373
ERI-UCB-a0b0dbcb-1
0.373
MAK-UNK-df1a028e-3
0.371
KRI-MAR-d2e3ef86-13
0.368
BEN-DND-7e92b6ca-11
0.368
ERI-UCB-a0b0dbcb-14
0.367
KRI-MAR-d2e3ef86-6
0.367
DAR-DIA-53551c05-22
0.366
MAT-POS-916a2c5a-3
0.358
KRI-MAR-d2e3ef86-4
0.358
ERI-UCB-a0b0dbcb-7
0.357
ERI-UCB-ce40166b-21
0.357
ERI-UCB-a0b0dbcb-9
0.355
ALP-POS-bea7b391-1
0.354
ALP-POS-3fc1724e-3
0.349
ERI-UCB-a0b0dbcb-6
0.348
ALP-POS-05819dc4-1
0.348
ALP-POS-3fc1724e-4
0.347
DAR-DIA-53551c05-20
0.346
ERI-UCB-a0b0dbcb-11
0.345
ERI-UCB-a0b0dbcb-13
0.345
JAN-GHE-82a280f8-2
0.345
JAN-GHE-82a280f8-3
0.345
ERI-UCB-a0b0dbcb-8
0.339
PET-UNK-7be94445-2
0.337
ERI-UCB-a0b0dbcb-5
0.336
BEN-DND-b89db3f2-5
0.333
EDJ-MED-edeb0d3a-1
0.333
ALP-POS-ddb41b15-1
0.331
KRI-MAR-d2e3ef86-12
0.330
ALP-POS-ddb41b15-3
0.328
ALP-POS-3fc1724e-1
0.325
ERI-UCB-d6de1f3c-2
0.321
ALP-POS-ddb41b15-2
0.320
MAK-UNK-df1a028e-2
0.319
PET-UNK-7be94445-1
0.318
ERI-UCB-ce40166b-20
0.317
KRI-MAR-d2e3ef86-15
0.315
BEN-DND-7e92b6ca-5
0.314
ROB-UNI-daaf9793-1
0.314
MAT-POS-e1b5ac6b-1
0.314
ALP-POS-3fc1724e-2
0.314
ERI-UCB-ce40166b-17
0.314
DAR-DIA-53551c05-15
0.313
DAR-DIA-8e329c92-10
0.312
DAR-DIA-8e329c92-9
0.312
ERI-UCB-ce40166b-19
0.309
ALP-POS-ddb41b15-4
0.309
ERI-UCB-ce40166b-18
0.306
VLA-UCB-1dbca3b4-13
0.306
ALP-UNI-ed5cdfd2-4
0.306
ALP-POS-fc6c627f-3
0.306
ERI-UCB-ce40166b-16
0.306
VLA-UCB-1dbca3b4-3
0.306
DAR-DIA-8e329c92-5
0.305
BEN-DND-7e92b6ca-4
0.305
PET-UNK-b870596d-1
0.303
ALP-UNI-ed5cdfd2-7
0.303
MAT-POS-590ac91e-69
0.302
MAT-POS-54c4bf04-1
0.301