Molecular Properties | |
SMILES: | CN1CCN(c2ccc(NC(=O)c3cc(=O)[nH]c4ccccc34)cc2)CC1 |
MW: | 362.17 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.44 |
cLogP: | 2.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8377211544 |
MolPort: | MolPort-005-519-026 |
N,N-Dialkyl aniline derivatives (2)
BEN-DND-7e92b6ca-14
0.482
MAT-POS-916a2c5a-4
0.476
EDJ-MED-78f964c8-1
0.476
BEN-DND-7e92b6ca-11
0.472
KRI-MAR-d2e3ef86-13
0.472
KRI-MAR-d2e3ef86-12
0.472
BEN-DND-7e92b6ca-15
0.440
NAU-LAT-56d5284e-4
0.436
NAU-LAT-56d5284e-7
0.435
ERI-UCB-a0b0dbcb-2
0.429
ERI-UCB-a0b0dbcb-4
0.426
ALP-UNI-ed5cdfd2-5
0.419
BEN-DND-7e92b6ca-4
0.414
ADA-UCB-b1b30a00-1
0.411
BEN-DND-7e92b6ca-5
0.409
NAU-LAT-56d5284e-1
0.409
BEN-DND-7e92b6ca-3
0.407
NAU-LAT-56d5284e-6
0.406
MAR-UCB-f313ec4d-5
0.400
ERI-UCB-a0b0dbcb-3
0.400
BEN-DND-7e92b6ca-12
0.400
ALP-UNI-ed5cdfd2-4
0.394
MAT-POS-916a2c5a-2
0.394
DAR-DIA-8e329c92-8
0.393
DAR-DIA-8e329c92-4
0.388
DAR-DIA-8e329c92-5
0.386
DAR-DIA-8e329c92-10
0.385
MAT-UCB-70f7c0f7-4
0.385
ERI-UCB-a0b0dbcb-6
0.384
BEN-DND-7e92b6ca-16
0.380
BEN-DND-7e92b6ca-13
0.379
DAR-DIA-8e329c92-6
0.378
JAN-GHE-82a280f8-1
0.378
ALP-UNI-ed5cdfd2-7
0.376
NAU-LAT-a5c7d7cb-7
0.375
NAU-LAT-56d5284e-5
0.375
MAR-UCB-f313ec4d-4
0.375
KRI-MAR-d2e3ef86-7
0.375
BEN-DND-7e92b6ca-6
0.375
MAT-UCB-70f7c0f7-2
0.374
DAR-DIA-8e329c92-13
0.373
DAR-DIA-8e329c92-9
0.372
DAR-DIA-8e329c92-7
0.371
VLA-UCB-eb340134-4
0.371
MAT-POS-54c4bf04-1
0.371
ALP-POS-3fc1724e-1
0.370
ALP-POS-05819dc4-1
0.370
MAT-UCB-70f7c0f7-3
0.366
ADA-UCB-b1b30a00-2
0.366
ERI-UCB-ce40166b-21
0.365
MAT-UCB-70f7c0f7-1
0.365
NAU-LAT-56d5284e-2
0.361
ALP-UNI-ed5cdfd2-8
0.361
NAU-LAT-56d5284e-3
0.360
MAT-POS-54c4bf04-4
0.356
EDJ-MED-d1cd9639-1
0.356
ERI-UCB-a0b0dbcb-1
0.356
MAK-UNK-df1a028e-3
0.354
ERI-UCB-d6de1f3c-1
0.354
NAU-LAT-56d5284e-8
0.354
ALP-UNI-ed5cdfd2-6
0.354
VLA-UCB-eb340134-2
0.353
VLA-UCB-eb340134-3
0.353
BEN-DND-7e92b6ca-10
0.351
KRI-MAR-d2e3ef86-5
0.351
ERI-UCB-a0b0dbcb-9
0.351
ALP-POS-bea7b391-1
0.350
ERI-UCB-ce40166b-13
0.349
ERI-UCB-ce40166b-15
0.349
BEN-DND-7e92b6ca-9
0.347
DAR-DIA-8e329c92-11
0.347
VLA-UCB-eb340134-1
0.347
ERI-UCB-a0b0dbcb-8
0.347
ERI-UCB-ce40166b-16
0.346
ERI-UCB-ce40166b-14
0.346
BEN-DND-7e92b6ca-7
0.344
ERI-UCB-a0b0dbcb-5
0.343
ERI-UCB-ce40166b-17
0.343
ALP-POS-3fc1724e-2
0.343
ERI-UCB-a0b0dbcb-12
0.340
KRI-MAR-d2e3ef86-4
0.340
MAT-POS-916a2c5a-3
0.340
ERI-UCB-d6de1f3c-8
0.340
DAR-DIA-8e329c92-12
0.340
MAR-UCB-d1255a91-2
0.336
ERI-UCB-ce40166b-19
0.336
DAR-DIA-53551c05-22
0.333
ERI-UCB-ce40166b-18
0.333
ERI-UCB-ce40166b-20
0.333
ALP-POS-3fc1724e-3
0.330
ERI-UCB-a0b0dbcb-13
0.327
ERI-UCB-a0b0dbcb-11
0.327
ALP-POS-ddb41b15-1
0.324
KRI-MAR-d2e3ef86-6
0.324
ERI-UCB-a0b0dbcb-14
0.324
BEN-DND-7e92b6ca-2
0.323
ERI-UCB-a0b0dbcb-10
0.317
MAR-UCB-d1255a91-1
0.315
ERI-UCB-a0b0dbcb-7
0.315
DAR-DIA-53551c05-20
0.313