Molecular Properties | |
SMILES: | Cc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C |
MW: | 361.18 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 56.41 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8265971805 |
MolPort: | MolPort-005-314-864 |
BEN-DND-7e92b6ca-13
0.658
BEN-DND-7e92b6ca-16
0.649
EDJ-MED-d1cd9639-1
0.631
EDJ-MED-78f964c8-1
0.610
MAT-POS-916a2c5a-4
0.610
ERI-UCB-a0b0dbcb-2
0.605
BEN-DND-7e92b6ca-15
0.598
BEN-DND-7e92b6ca-14
0.595
MAR-UCB-f313ec4d-5
0.583
BEN-DND-7e92b6ca-12
0.583
ERI-UCB-a0b0dbcb-3
0.583
KRI-MAR-d2e3ef86-13
0.578
BEN-DND-7e92b6ca-11
0.578
ERI-UCB-a0b0dbcb-4
0.576
KRI-MAR-d2e3ef86-4
0.576
MAT-POS-916a2c5a-3
0.576
BEN-DND-7e92b6ca-6
0.571
UNK-UNK-2ede4078-96
0.566
UNK-UNK-2ede4078-75
0.566
ERI-UCB-ce40166b-21
0.543
ERI-UCB-a0b0dbcb-11
0.533
BEN-DND-7e92b6ca-10
0.530
KRI-MAR-d2e3ef86-5
0.530
ERI-UCB-a0b0dbcb-12
0.523
BEN-DND-7e92b6ca-7
0.518
ERI-UCB-a0b0dbcb-14
0.517
KRI-MAR-d2e3ef86-6
0.500
ERI-UCB-a0b0dbcb-13
0.500
ALP-POS-3fc1724e-3
0.494
NAU-LAT-56d5284e-2
0.483
NAU-LAT-56d5284e-3
0.478
MAT-POS-54c4bf04-4
0.473
BEN-DND-7e92b6ca-9
0.467
NAU-LAT-56d5284e-5
0.467
ALP-POS-3fc1724e-4
0.465
ERI-UCB-a0b0dbcb-1
0.457
ERI-UCB-d6de1f3c-1
0.457
UNK-UNK-2ede4078-85
0.456
NAU-LAT-56d5284e-8
0.441
ERI-UCB-a0b0dbcb-9
0.440
ERI-UCB-a0b0dbcb-8
0.432
ERI-UCB-a0b0dbcb-6
0.427
ERI-UCB-a0b0dbcb-10
0.427
ERI-UCB-a0b0dbcb-5
0.424
ERI-UCB-d6de1f3c-8
0.423
JAN-GHE-82a280f8-1
0.421
MAK-UNK-df1a028e-2
0.418
VLA-UCB-eb340134-4
0.415
DAR-DIA-53551c05-22
0.409
VLA-UCB-eb340134-2
0.408
ERI-UCB-a0b0dbcb-7
0.406
VLA-UCB-eb340134-1
0.402
MAK-UNK-df1a028e-3
0.398
VLA-UCB-eb340134-3
0.394
MAR-UCB-d1255a91-2
0.388
DAR-DIA-53551c05-20
0.383
KRI-MAR-d2e3ef86-12
0.379
MAR-UCB-d1255a91-1
0.377
KRI-MAR-d2e3ef86-15
0.375
EDJ-MED-d1cd9639-2
0.370
ERI-UCB-d6de1f3c-3
0.369
ERI-UCB-d6de1f3c-4
0.366
NAU-LAT-56d5284e-1
0.365
DAR-DIA-53551c05-17
0.363
MAT-POS-590ac91e-57
0.354
DAR-DIA-1a77c53a-1
0.353
NAU-LAT-56d5284e-4
0.350
MAT-POS-590ac91e-63
0.350
NAU-LAT-56d5284e-7
0.347
MAT-POS-590ac91e-70
0.347
MAT-POS-590ac91e-58
0.343
MAT-POS-590ac91e-56
0.340
ADA-UCB-b1b30a00-1
0.340
MAT-POS-590ac91e-64
0.340
MAT-POS-590ac91e-66
0.337
NAU-LAT-56d5284e-6
0.337
MAT-POS-590ac91e-65
0.337
BEN-DND-7e92b6ca-3
0.333
DAR-DIA-8e329c92-5
0.333
MAT-POS-590ac91e-61
0.333
MAT-POS-590ac91e-68
0.333
MAT-POS-590ac91e-69
0.330
DAR-DIA-8e329c92-10
0.330
DAR-DIA-53551c05-15
0.328
MAT-POS-590ac91e-60
0.327
ALP-POS-ddb41b15-2
0.324
MAT-POS-590ac91e-67
0.324
MAT-POS-3b536971-2
0.324
BEN-DND-7e92b6ca-4
0.323
DAR-DIA-8e329c92-7
0.321
JAR-KUA-8c13982c-10
0.321
ALP-UNI-ed5cdfd2-5
0.320
ALP-UNI-ed5cdfd2-7
0.320
BEN-DND-7e92b6ca-5
0.319
MAT-POS-590ac91e-62
0.318
ALP-POS-3fc1724e-1
0.317
ALP-POS-05819dc4-1
0.317
MAT-POS-54c4bf04-1
0.317
MAT-UCB-70f7c0f7-4
0.317
DAR-DIA-8e329c92-9
0.316