Molecular Properties | |
SMILES: | O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccccc12 |
MW: | 347.16 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.2 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9567197994 |
MolPort: | MolPort-005-508-542 |
KRI-MAR-d2e3ef86-15
0.472
NAU-LAT-56d5284e-7
0.440
BEN-DND-7e92b6ca-5
0.430
NAU-LAT-56d5284e-1
0.429
NAU-LAT-56d5284e-4
0.426
BEN-DND-7e92b6ca-4
0.419
DAR-DIA-8e329c92-7
0.416
BEN-DND-7e92b6ca-16
0.416
BEN-DND-7e92b6ca-13
0.413
BEN-DND-7e92b6ca-6
0.412
NAU-LAT-56d5284e-6
0.411
MAR-UCB-f313ec4d-4
0.409
EDJ-MED-78f964c8-1
0.398
MAT-POS-916a2c5a-4
0.398
BEN-DND-7e92b6ca-3
0.396
DAR-DIA-8e329c92-5
0.390
ERI-UCB-a0b0dbcb-2
0.387
ADA-UCB-b1b30a00-1
0.385
MAT-POS-916a2c5a-2
0.383
ALP-UNI-ed5cdfd2-4
0.383
ALP-UNI-ed5cdfd2-7
0.380
ALP-UNI-ed5cdfd2-5
0.379
NAU-LAT-56d5284e-5
0.379
KRI-MAR-d2e3ef86-7
0.379
NAU-LAT-a5c7d7cb-7
0.379
DAR-DIA-8e329c92-9
0.376
MAT-POS-54c4bf04-1
0.375
MAT-UCB-70f7c0f7-4
0.375
EDJ-MED-d1cd9639-1
0.374
ALP-POS-3fc1724e-1
0.374
BEN-DND-7e92b6ca-14
0.374
ALP-UNI-ed5cdfd2-6
0.371
MAT-UCB-70f7c0f7-3
0.370
ADA-UCB-b1b30a00-2
0.370
KRI-MAR-d2e3ef86-5
0.370
BEN-DND-7e92b6ca-10
0.370
MAT-UCB-70f7c0f7-1
0.369
BEN-DND-7e92b6ca-15
0.368
JAN-GHE-82a280f8-1
0.367
DAR-DIA-8e329c92-6
0.367
DAR-DIA-53551c05-22
0.367
ERI-UCB-ce40166b-13
0.365
ALP-UNI-ed5cdfd2-8
0.365
DAR-DIA-8e329c92-4
0.364
ERI-UCB-a0b0dbcb-8
0.364
ERI-UCB-ce40166b-14
0.362
BEN-DND-7e92b6ca-7
0.362
DAR-DIA-8e329c92-10
0.361
BEN-DND-7e92b6ca-12
0.361
MAR-UCB-f313ec4d-5
0.361
VLA-UCB-eb340134-4
0.361
ALP-POS-05819dc4-1
0.360
ERI-UCB-a0b0dbcb-5
0.359
ALP-POS-3fc1724e-2
0.358
ERI-UCB-ce40166b-17
0.358
MAK-UNK-df1a028e-3
0.358
ERI-UCB-d6de1f3c-1
0.357
DAR-DIA-8e329c92-12
0.356
KRI-MAR-d2e3ef86-13
0.354
BEN-DND-7e92b6ca-11
0.354
ALP-POS-bea7b391-1
0.353
MAT-UCB-70f7c0f7-2
0.352
DAR-DIA-8e329c92-13
0.351
BEN-DND-7e92b6ca-9
0.351
NAU-LAT-56d5284e-2
0.351
NAU-LAT-56d5284e-3
0.350
DAR-DIA-8e329c92-11
0.350
ERI-UCB-ce40166b-16
0.349
ERI-UCB-ce40166b-18
0.349
ERI-UCB-a0b0dbcb-3
0.347
ERI-UCB-a0b0dbcb-10
0.347
ERI-UCB-a0b0dbcb-1
0.347
DAR-DIA-8e329c92-8
0.345
ERI-UCB-d6de1f3c-4
0.345
DAR-DIA-53551c05-20
0.344
MAT-POS-916a2c5a-3
0.343
NAU-LAT-56d5284e-8
0.343
ERI-UCB-a0b0dbcb-4
0.343
KRI-MAR-d2e3ef86-4
0.343
ERI-UCB-a0b0dbcb-12
0.343
VLA-UCB-eb340134-3
0.343
VLA-UCB-eb340134-2
0.343
ERI-UCB-a0b0dbcb-7
0.343
ERI-UCB-ce40166b-21
0.343
MAK-UNK-df1a028e-2
0.340
MAR-UCB-d1255a91-2
0.340
ERI-UCB-ce40166b-15
0.340
VLA-UCB-eb340134-1
0.337
ERI-UCB-ce40166b-20
0.336
ALP-POS-3fc1724e-3
0.333
MAT-POS-54c4bf04-4
0.333
MAR-UCB-d1255a91-1
0.330
ERI-UCB-d6de1f3c-8
0.330
MAK-UNK-3d7e3904-2
0.330
ERI-UCB-ce40166b-19
0.327
DAR-DIA-53551c05-17
0.327
ERI-UCB-a0b0dbcb-14
0.327
KRI-MAR-d2e3ef86-6
0.327
ERI-UCB-a0b0dbcb-9
0.327
ERI-UCB-a0b0dbcb-6
0.320