Molecular Properties | |
SMILES: | N#Cc1cccc(N(CCC2CC2)C(=O)Nc2cccnc2)c1 |
MW: | 306.369 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.02 |
cLogP: | 3.79188 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-18
0.887
JOR-UNI-61e7b1d5-7
0.730
JOR-UNI-61e7b1d5-24
0.704
JOR-UNI-61e7b1d5-20
0.684
JOR-UNI-61e7b1d5-30
0.679
JOR-UNI-61e7b1d5-28
0.679
JOR-UNI-2fc98d0b-8
0.676
JOR-UNI-61e7b1d5-26
0.671
JOR-UNI-61e7b1d5-16
0.663
JOR-UNI-61e7b1d5-5
0.639
JOR-UNI-61e7b1d5-22
0.624
JOR-UNI-2fc98d0b-12
0.617
JOR-UNI-61e7b1d5-10
0.611
JOR-UNI-61e7b1d5-12
0.607
JOR-UNI-61e7b1d5-3
0.600
JOR-UNI-61e7b1d5-14
0.600
JOR-UNI-61e7b1d5-19
0.495
JOR-UNI-2fc98d0b-2
0.476
JOR-UNI-2fc98d0b-13
0.473
ERI-UCB-ce40166b-23
0.466
JOR-UNI-2fc98d0b-15
0.462
JOR-UNI-2fc98d0b-10
0.457
JOR-UNI-2fc98d0b-11
0.451
JOR-UNI-2fc98d0b-17
0.451
ANN-UNI-26382800-5
0.450
JOR-UNI-2fc98d0b-6
0.441
EMI-TUK-a58865cc-5
0.439
DAR-DIA-23aa0b97-5
0.436
WAR-XCH-eb7b662f-1
0.436
JOR-UNI-61e7b1d5-2
0.436
ANN-UNI-26382800-4
0.436
JOR-UNI-2fc98d0b-3
0.435
JOR-UNI-61e7b1d5-21
0.433
EMI-TUK-a58865cc-7
0.429
JOR-UNI-2fc98d0b-14
0.426
EMI-TUK-a58865cc-6
0.424
JOR-UNI-2fc98d0b-4
0.419
EMI-TUK-a58865cc-4
0.419
JOR-UNI-61e7b1d5-25
0.417
JOR-UNI-2fc98d0b-16
0.413
JOR-UNI-2fc98d0b-9
0.410
JOR-UNI-61e7b1d5-8
0.406
WIL-UNI-5578df48-2
0.405
JOR-UNI-2fc98d0b-1
0.404
JOR-UNI-2fc98d0b-5
0.404
JOR-UNI-61e7b1d5-6
0.402
JOR-UNI-61e7b1d5-29
0.402
JOR-UNI-61e7b1d5-23
0.398
JOR-UNI-61e7b1d5-31
0.398
JOR-UNI-61e7b1d5-27
0.398
WIL-UNI-5578df48-3
0.398
JOR-UNI-61e7b1d5-17
0.390
CHR-SOS-363cfb78-1
0.388
ASH-UNK-40b46b30-3
0.384
EMI-TUK-a58865cc-3
0.384
JOR-UNI-61e7b1d5-13
0.382
MAT-POS-136e7878-1
0.381
DAR-DIA-23aa0b97-17
0.381
JOR-UNI-61e7b1d5-4
0.379
JOR-UNI-61e7b1d5-15
0.379
MIC-UNK-cdc2493e-1
0.374
GAB-REV-70cc3ca5-19
0.374
DAR-DIA-23aa0b97-4
0.369
ANN-UNI-26382800-3
0.367
JOH-UNK-14e6adc5-2
0.367
EMI-TUK-a58865cc-1
0.367
VLA-UCB-05e51b3f-14
0.366
EDJ-MED-c314995a-1
0.366
JOR-UNI-61e7b1d5-11
0.366
WIL-UNI-5578df48-33
0.361
WIL-UNI-5578df48-4
0.360
ASH-UNK-40b46b30-9
0.360
MAR-TRE-b77b7921-74
0.360
ALE-HEI-f28a35b5-9
0.358
FRA-FAC-9ed5a63a-1
0.358
AAR-POS-d2a4d1df-13
0.358
WIL-UNI-5578df48-1
0.357
EMI-TUK-a58865cc-2
0.356
WAR-XCH-eb7b662f-2
0.353
MAR-TRE-2fd8122f-57
0.353
MAR-TRE-67513f76-81
0.352
FRA-FAC-9ed5a63a-2
0.349
MED-UNK-e6e8ef8a-3
0.349
MED-UNK-e6e8ef8a-2
0.349
MAR-TRE-3e4e6814-67
0.348
MAR-TRE-2fd8122f-69
0.345
KAY-MCD-59dc2eb3-1
0.343
MAK-UNK-f0bfc2e0-1
0.341
MAK-UNK-30aad1f1-8
0.340
DAR-DIA-842b4336-5
0.337
FRA-FAC-9ed5a63a-3
0.337
JOR-UNI-61e7b1d5-1
0.337
ASH-UNK-40b46b30-1
0.337
DUN-NEW-f8ce3686-17
0.337
BEN-BAS-e0d85f98-1
0.337
JAG-UCB-1d922829-5
0.333
DAR-DIA-842b4336-15
0.333
WAR-XCH-eb7b662f-6
0.333
JAN-UNI-2e92c4b1-2
0.333
MAK-UNK-30aad1f1-6
0.333