Molecular Properties | |
SMILES: | CC1CN(C(=O)c2cc(=O)[nH]c3ccccc23)CC(=O)N1c1cccc(Cl)c1 |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 73.48 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-a0b0dbcb-2
ERI-UCB-d6de1f3c-3
0.663
ERI-UCB-d6de1f3c-4
0.656
MAT-POS-54c4bf04-4
0.625
ERI-UCB-d6de1f3c-1
0.591
ERI-UCB-a0b0dbcb-2
0.581
ERI-UCB-d6de1f3c-7
0.571
NAU-LAT-56d5284e-5
0.551
NAU-LAT-56d5284e-8
0.522
NAU-LAT-56d5284e-2
0.516
JAN-GHE-82a280f8-1
0.516
VLA-UCB-eb340134-4
0.511
ERI-UCB-a0b0dbcb-12
0.505
NAU-LAT-56d5284e-3
0.495
VLA-UCB-eb340134-3
0.485
ERI-UCB-a0b0dbcb-9
0.473
NAU-LAT-56d5284e-7
0.468
VLA-UCB-eb340134-1
0.464
MAR-UCB-d1255a91-1
0.462
MAR-UCB-d1255a91-2
0.461
MAT-POS-916a2c5a-4
0.461
EDJ-MED-78f964c8-1
0.461
EDJ-MED-d1cd9639-1
0.459
NAU-LAT-56d5284e-1
0.457
BEN-DND-7e92b6ca-15
0.457
NAU-LAT-56d5284e-6
0.454
BEN-DND-7e92b6ca-12
0.448
MAR-UCB-f313ec4d-5
0.448
ERI-UCB-a0b0dbcb-3
0.448
ERI-UCB-a0b0dbcb-6
0.444
ERI-UCB-a0b0dbcb-1
0.444
ERI-UCB-a0b0dbcb-4
0.443
BEN-DND-7e92b6ca-6
0.443
VLA-UCB-eb340134-2
0.440
NAU-LAT-56d5284e-4
0.439
DAR-DIA-53551c05-17
0.436
BEN-DND-7e92b6ca-14
0.435
BEN-DND-7e92b6ca-10
0.430
KRI-MAR-d2e3ef86-5
0.430
ERI-UCB-a0b0dbcb-10
0.430
KRI-MAR-d2e3ef86-13
0.427
BEN-DND-7e92b6ca-11
0.427
BEN-DND-7e92b6ca-13
0.427
ERI-UCB-ce40166b-21
0.423
KRI-MAR-d2e3ef86-7
0.423
ERI-UCB-a0b0dbcb-8
0.420
MAK-UNK-df1a028e-3
0.417
BEN-DND-7e92b6ca-16
0.415
ERI-UCB-a0b0dbcb-11
0.412
ERI-UCB-a0b0dbcb-14
0.410
BEN-DND-7e92b6ca-9
0.408
BEN-DND-7e92b6ca-7
0.406
MIC-UNK-02d7a284-3
0.400
MAT-POS-916a2c5a-3
0.400
ERI-UCB-a0b0dbcb-5
0.400
KRI-MAR-d2e3ef86-4
0.400
ALP-POS-3fc1724e-4
0.398
JAN-GHE-82a280f8-2
0.398
JAN-GHE-82a280f8-3
0.398
ERI-UCB-a0b0dbcb-13
0.398
DAR-DIA-53551c05-22
0.398
ERI-UCB-a0b0dbcb-7
0.396
KRI-MAR-d2e3ef86-6
0.396
ALP-POS-bea7b391-1
0.394
ALP-POS-3fc1724e-3
0.390
ERI-UCB-d6de1f3c-5
0.386
EDJ-MED-edeb0d3a-1
0.385
BEN-DND-b89db3f2-5
0.385
ALP-POS-05819dc4-1
0.375
ERI-UCB-d6de1f3c-6
0.374
DAR-DIA-53551c05-20
0.374
MAK-UNK-df1a028e-2
0.368
NAU-LAT-a5c7d7cb-7
0.366
ALP-POS-ddb41b15-2
0.366
ALP-POS-ddb41b15-3
0.364
ALP-POS-fc6c627f-3
0.364
ALP-POS-ddb41b15-4
0.354
MAT-UCB-70f7c0f7-4
0.350
MAT-POS-590ac91e-54
0.348
MAT-UCB-70f7c0f7-3
0.346
ADA-UCB-b1b30a00-2
0.346
DAR-DIA-53551c05-15
0.344
ALP-POS-ddb41b15-1
0.342
KRI-MAR-d2e3ef86-15
0.340
DAR-DIA-8e329c92-4
0.340
DAR-DIA-8e329c92-5
0.339
MAT-UCB-70f7c0f7-1
0.333
MAT-POS-3b536971-2
0.330
ALP-UNI-ed5cdfd2-4
0.330
KRI-MAR-d2e3ef86-12
0.330
DAR-DIA-8e329c92-7
0.327
BEN-DND-7e92b6ca-3
0.327
ROB-UNI-daaf9793-1
0.327
MAT-POS-e1b5ac6b-1
0.327
MAT-POS-590ac91e-69
0.324
ALP-POS-3fc1724e-1
0.324
MAT-POS-54c4bf04-1
0.324
DAR-DIA-8e329c92-10
0.324
ADA-UCB-b1b30a00-1
0.321
ERI-UCB-d6de1f3c-2
0.321
DAR-DIA-8e329c92-6
0.318