Molecular Properties | |
SMILES: | O=C(NCc1nc2ccccc2[nH]1)c1cc(=O)[nH]c2ccccc12 |
MW: | 318.11 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 90.64 |
cLogP: | 2.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-7e92b6ca-4
0.487
BEN-DND-7e92b6ca-5
0.481
DAR-DIA-8e329c92-9
0.471
AAR-UNI-c25c2f1e-41
0.464
ADA-UCB-b1b30a00-1
0.461
MAT-POS-916a2c5a-2
0.460
ALP-UNI-ed5cdfd2-4
0.460
BEN-DND-7e92b6ca-3
0.459
AAR-UNI-c25c2f1e-83
0.456
AAR-UNI-c25c2f1e-57
0.456
ALP-UNI-ed5cdfd2-5
0.455
ALP-UNI-ed5cdfd2-8
0.455
AAR-UNI-c25c2f1e-58
0.447
NAU-LAT-a5c7d7cb-7
0.438
MAR-UCB-f313ec4d-4
0.438
DAR-DIA-8e329c92-10
0.433
MAT-POS-54c4bf04-1
0.433
NAU-LAT-56d5284e-6
0.424
DAR-DIA-8e329c92-11
0.419
ALP-POS-3fc1724e-1
0.415
ALP-POS-05819dc4-1
0.415
ALP-UNI-ed5cdfd2-3
0.413
ALP-UNI-ed5cdfd2-6
0.413
ALP-UNI-ed5cdfd2-2
0.407
MAT-UCB-70f7c0f7-4
0.402
ERI-UCB-ce40166b-16
0.400
MAK-UNK-3ae66343-1
0.395
MAT-UCB-70f7c0f7-1
0.394
DAR-DIA-8e329c92-12
0.394
ALP-UNI-ed5cdfd2-1
0.394
ERI-UCB-ce40166b-13
0.390
ERI-UCB-ce40166b-15
0.390
ERI-UCB-ce40166b-14
0.386
ERI-UCB-ce40166b-20
0.385
ERI-UCB-ce40166b-17
0.382
ALP-POS-3fc1724e-2
0.382
ADA-UCB-b1b30a00-2
0.381
MAT-UCB-70f7c0f7-3
0.381
KRI-MAR-d2e3ef86-12
0.380
DAR-DIA-8e329c92-6
0.379
KRI-MAR-d2e3ef86-15
0.376
NAU-LAT-56d5284e-7
0.376
MAT-UCB-70f7c0f7-2
0.375
DAR-DIA-8e329c92-4
0.375
ERI-UCB-ce40166b-19
0.375
ERI-UCB-ce40166b-18
0.371
BEN-DND-7e92b6ca-2
0.366
MAR-TRE-ebcc4ad6-45
0.365
NAU-LAT-56d5284e-4
0.365
DAR-DIA-8e329c92-13
0.361
BEN-DND-7e92b6ca-6
0.360
DAR-DIA-8e329c92-5
0.360
NAU-LAT-56d5284e-8
0.354
MAR-TRE-92684b97-53
0.352
KRI-MAR-d2e3ef86-5
0.352
BEN-DND-7e92b6ca-10
0.352
NAU-LAT-56d5284e-1
0.351
ALP-POS-bea7b391-1
0.350
MAR-TRE-87acfbcc-73
0.349
EDJ-MED-78f964c8-1
0.348
MAT-POS-916a2c5a-4
0.348
NAU-LAT-56d5284e-2
0.347
BEN-DND-7e92b6ca-9
0.347
DAR-DIA-8e329c92-7
0.346
GAB-REV-70cc3ca5-9
0.344
BEN-DND-7e92b6ca-7
0.344
BEN-DND-7e92b6ca-14
0.341
ERI-UCB-a0b0dbcb-2
0.340
ERI-UCB-a0b0dbcb-12
0.340
ERI-UCB-a0b0dbcb-4
0.340
JAN-GHE-82a280f8-2
0.340
JAN-GHE-82a280f8-3
0.340
AAR-POS-0daf6b7e-39
0.338
MAR-TRE-423310b6-61
0.337
SAD-SAT-f0a2747f-6
0.337
WIL-UNI-d4749f31-37
0.337
BEN-DND-7e92b6ca-16
0.337
BEN-DND-7e92b6ca-11
0.337
BEN-DND-7e92b6ca-15
0.337
KRI-MAR-d2e3ef86-13
0.337
KRI-MAR-d2e3ef86-6
0.337
ALP-POS-fc6c627f-3
0.333
NAU-LAT-56d5284e-3
0.333
ALP-POS-ddb41b15-3
0.333
DAR-DIA-53551c05-22
0.333
DAR-DIA-8e329c92-8
0.330
ERI-UCB-a0b0dbcb-5
0.330
MAT-POS-54c4bf04-4
0.330
ALP-POS-3fc1724e-3
0.330
ERI-UCB-a0b0dbcb-13
0.327
BEN-DND-b89db3f2-5
0.327
GAB-REV-4a4e2ff3-3
0.327
EDJ-MED-edeb0d3a-1
0.327
ERI-UCB-d6de1f3c-1
0.327
MAT-POS-916a2c5a-3
0.327
KRI-MAR-d2e3ef86-4
0.327
MAK-UNK-df1a028e-3
0.326
ALP-POS-ddb41b15-1
0.324
ERI-UCB-a0b0dbcb-14
0.323
BEN-DND-7e92b6ca-13
0.323