Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc3ccccc23)CC1 |
MW: | 397.18 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.41 |
cLogP: | 3.64 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4418182550 |
MolPort: | MolPort-005-517-546 |
ALP-POS-3fc1724e-3
0.679
KRI-MAR-d2e3ef86-5
0.646
BEN-DND-7e92b6ca-10
0.646
ERI-UCB-a0b0dbcb-12
0.612
ERI-UCB-a0b0dbcb-14
0.605
ERI-UCB-a0b0dbcb-11
0.584
ERI-UCB-a0b0dbcb-13
0.584
ALP-POS-3fc1724e-4
0.574
BEN-DND-7e92b6ca-6
0.550
MAT-POS-916a2c5a-4
0.549
EDJ-MED-78f964c8-1
0.549
BEN-DND-7e92b6ca-14
0.536
ERI-UCB-a0b0dbcb-2
0.529
BEN-DND-7e92b6ca-15
0.523
JOO-IND-6372a4f3-4
0.519
MED-COV-4280ac29-31
0.519
AAR-POS-d2a4d1df-40
0.519
BEN-DND-7e92b6ca-16
0.512
BEN-DND-7e92b6ca-11
0.506
BEN-DND-7e92b6ca-13
0.506
KRI-MAR-d2e3ef86-13
0.506
KRI-MAR-d2e3ef86-7
0.500
JOO-IND-6372a4f3-6
0.500
BEN-DND-7e92b6ca-7
0.500
ERI-UCB-a0b0dbcb-3
0.495
BEN-DND-7e92b6ca-12
0.495
MAR-UCB-f313ec4d-5
0.495
JOO-IND-6372a4f3-5
0.494
ERI-UCB-a0b0dbcb-4
0.489
DAR-DIA-8e329c92-9
0.483
EDJ-MED-d1cd9639-1
0.474
KRI-MAR-d2e3ef86-4
0.473
MAT-POS-916a2c5a-3
0.473
NAU-LAT-56d5284e-2
0.467
ERI-UCB-ce40166b-21
0.465
NAU-LAT-56d5284e-3
0.463
BEN-DND-7e92b6ca-9
0.452
ERI-UCB-a0b0dbcb-8
0.448
ERI-UCB-d6de1f3c-1
0.442
ERI-UCB-a0b0dbcb-5
0.440
MAT-POS-54c4bf04-4
0.429
NAU-LAT-56d5284e-8
0.427
ERI-UCB-a0b0dbcb-9
0.426
NAU-LAT-56d5284e-5
0.421
ERI-UCB-a0b0dbcb-6
0.414
VLA-UCB-eb340134-1
0.404
VLA-UCB-eb340134-4
0.402
ERI-UCB-a0b0dbcb-1
0.400
ERI-UCB-a0b0dbcb-10
0.400
ERI-UCB-d6de1f3c-8
0.396
VLA-UCB-eb340134-3
0.396
ERI-UCB-d6de1f3c-4
0.393
MAK-UNK-df1a028e-3
0.385
ERI-UCB-a0b0dbcb-7
0.381
DAR-DIA-53551c05-22
0.380
JAN-GHE-82a280f8-1
0.380
DAR-DIA-fb20be43-2
0.378
MAR-UCB-d1255a91-2
0.377
PAU-UNI-19862c28-1
0.374
DAR-DIA-fb20be43-8
0.374
ERI-UCB-d6de1f3c-3
0.372
MAT-POS-4e253971-2
0.370
VLA-UCB-eb340134-2
0.369
MAR-UCB-d1255a91-1
0.367
MAK-UNK-df1a028e-2
0.365
DAR-DIA-53551c05-20
0.357
ALP-UNI-ed5cdfd2-4
0.354
NAU-LAT-56d5284e-1
0.354
DAR-DIA-fb20be43-9
0.351
DAR-DIA-fb20be43-7
0.347
DAR-DIA-fb20be43-6
0.344
MAT-POS-590ac91e-56
0.343
MAT-POS-590ac91e-57
0.343
DAR-DIA-53551c05-21
0.340
BEN-DND-7e92b6ca-4
0.340
NAU-LAT-56d5284e-4
0.340
DAR-DIA-53551c05-17
0.340
ALP-UNI-ed5cdfd2-7
0.337
MAT-POS-590ac91e-70
0.337
MAT-POS-590ac91e-68
0.337
MIH-UNI-e573136b-3
0.336
MAT-POS-590ac91e-61
0.336
MAT-POS-590ac91e-58
0.333
MAT-POS-590ac91e-62
0.333
MAT-POS-590ac91e-69
0.333
DAR-DIA-8e329c92-10
0.333
MIH-UNI-e573136b-2
0.330
MIH-UNI-e573136b-4
0.330
MAT-POS-590ac91e-65
0.327
NAU-LAT-56d5284e-6
0.327
KRI-MAR-d2e3ef86-12
0.327
DAR-DIA-8e329c92-11
0.324
ALP-UNI-ed5cdfd2-5
0.324
KRI-MAR-d2e3ef86-15
0.324
NAU-LAT-56d5284e-7
0.324
BEN-DND-7e92b6ca-5
0.323
MAT-POS-54c4bf04-1
0.320
MAT-POS-590ac91e-60
0.318
MAT-POS-590ac91e-64
0.318
ADA-UCB-b1b30a00-1
0.317