Molecular Properties | |
SMILES: | O=C(c1cc(=O)[nH]c2ccccc12)N1CC2CC1CN2c1ccccc1 |
MW: | 345.15 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 56.41 |
cLogP: | 2.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-df1a028e-2
0.575
EDJ-MED-78f964c8-1
0.525
MAT-POS-916a2c5a-4
0.525
BEN-DND-7e92b6ca-6
0.487
MAT-POS-54c4bf04-4
0.467
BEN-DND-7e92b6ca-7
0.460
ERI-UCB-a0b0dbcb-8
0.457
KRI-MAR-d2e3ef86-5
0.453
BEN-DND-7e92b6ca-10
0.453
NAU-LAT-56d5284e-8
0.451
BEN-DND-7e92b6ca-14
0.442
ERI-UCB-a0b0dbcb-2
0.438
BEN-DND-7e92b6ca-16
0.437
ERI-UCB-a0b0dbcb-10
0.436
BEN-DND-7e92b6ca-15
0.433
ERI-UCB-a0b0dbcb-9
0.433
ERI-UCB-a0b0dbcb-5
0.433
NAU-LAT-56d5284e-5
0.429
NAU-LAT-56d5284e-3
0.426
ERI-UCB-a0b0dbcb-3
0.424
MAR-UCB-f313ec4d-5
0.424
BEN-DND-7e92b6ca-12
0.424
ERI-UCB-a0b0dbcb-4
0.419
ERI-UCB-d6de1f3c-1
0.419
KRI-MAR-d2e3ef86-4
0.419
MAT-POS-916a2c5a-3
0.419
BEN-DND-7e92b6ca-11
0.418
BEN-DND-7e92b6ca-13
0.418
KRI-MAR-d2e3ef86-13
0.418
ERI-UCB-d6de1f3c-8
0.417
ERI-UCB-a0b0dbcb-7
0.414
VLA-UCB-eb340134-4
0.409
ALP-POS-3fc1724e-3
0.409
ERI-UCB-a0b0dbcb-1
0.406
EDJ-MED-d1cd9639-1
0.406
ERI-UCB-a0b0dbcb-6
0.406
DAR-DIA-53551c05-22
0.402
ERI-UCB-ce40166b-21
0.400
JAN-GHE-82a280f8-1
0.400
NAU-LAT-56d5284e-2
0.398
BEN-DND-7e92b6ca-9
0.398
KRI-MAR-d2e3ef86-7
0.398
DAR-DIA-1a77c53a-7
0.392
DAR-DIA-53551c05-20
0.391
ERI-UCB-a0b0dbcb-12
0.389
KRI-MAR-d2e3ef86-6
0.385
ERI-UCB-a0b0dbcb-14
0.385
NAU-LAT-56d5284e-7
0.383
VLA-UCB-eb340134-1
0.381
ALP-POS-3fc1724e-4
0.375
ERI-UCB-a0b0dbcb-11
0.374
ERI-UCB-a0b0dbcb-13
0.374
VLA-UCB-eb340134-3
0.374
NAU-LAT-56d5284e-1
0.372
MAR-UCB-d1255a91-1
0.371
NAU-LAT-56d5284e-6
0.371
MAR-UCB-d1255a91-2
0.369
ERI-UCB-d6de1f3c-3
0.364
ERI-UCB-d6de1f3c-4
0.360
VLA-UCB-eb340134-2
0.360
BEN-DND-7e92b6ca-4
0.360
KRI-MAR-d2e3ef86-12
0.358
NAU-LAT-56d5284e-4
0.357
BEN-DND-7e92b6ca-5
0.356
KRI-MAR-d2e3ef86-15
0.354
DAR-DIA-53551c05-17
0.343
BEN-DND-7e92b6ca-3
0.340
MAT-POS-54c4bf04-1
0.337
MAT-UCB-70f7c0f7-4
0.337
DAR-DIA-8e329c92-4
0.327
MAR-UCB-f313ec4d-4
0.327
ALP-UNI-ed5cdfd2-7
0.326
MAT-POS-590ac91e-58
0.323
MAT-UCB-70f7c0f7-3
0.320
ADA-UCB-b1b30a00-2
0.320
ADA-UCB-b1b30a00-1
0.320
ALP-UNI-ed5cdfd2-6
0.320
MAT-UCB-70f7c0f7-2
0.318
ALP-POS-bea7b391-1
0.317
BEN-DND-7e92b6ca-2
0.316
ALP-UNI-ed5cdfd2-4
0.316
MAT-POS-916a2c5a-2
0.316
DAR-DIA-8e329c92-5
0.314
ALP-UNI-ed5cdfd2-5
0.313
DAR-DIA-53551c05-15
0.311
ALP-POS-05819dc4-1
0.311
DAR-DIA-8e329c92-10
0.310
DAR-DIA-8e329c92-9
0.309
MAT-UCB-70f7c0f7-1
0.308
JAN-GHE-82a280f8-2
0.308
EDJ-MED-edeb0d3a-1
0.308
BEN-DND-b89db3f2-5
0.308
JAN-GHE-82a280f8-3
0.308
MAT-POS-590ac91e-56
0.307
ALP-POS-ddb41b15-5
0.304
DAR-DIA-8e329c92-6
0.304
DAR-DIA-8e329c92-7
0.303
MAK-UNK-3f402c2b-27
0.302
MAT-POS-590ac91e-70
0.301
NAU-LAT-a5c7d7cb-7
0.300