Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(NCc3ccccc3C#N)cc(F)cc12 |
MW: | 350.397 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 80.71 |
cLogP: | 3.46938 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-21
0.616
GAB-REV-4a4e2ff3-16
0.567
GAB-REV-4a4e2ff3-20
0.551
LON-WEI-af038623-6
0.539
TAM-UNI-c140e31a-3
0.526
ASH-UNK-40b46b30-7
0.516
NAU-LAT-81109c57-3
0.505
GAB-REV-4a4e2ff3-14
0.500
GAB-REV-4a4e2ff3-18
0.480
NIR-THE-0d6461ce-3
0.469
GAB-REV-4a4e2ff3-6
0.468
GAB-REV-4a4e2ff3-11
0.452
MAK-UNK-be5ffcbc-9
0.442
GAB-REV-4a4e2ff3-15
0.436
ANT-OPE-b90194ad-1
0.435
NAU-LAT-81109c57-5
0.433
DAR-DIA-caba39e3-6
0.426
NAU-LAT-f723e322-2
0.420
MAK-UNK-ec98eaf6-34
0.419
GAB-REV-4a4e2ff3-12
0.418
TAM-UNI-c140e31a-2
0.414
WIL-LEE-1f71e281-6
0.413
JOK-SYG-302da050-1
0.410
STU-CHA-bc0a9883-1
0.410
DAR-DIA-fb20be43-11
0.410
NAU-LAT-f723e322-1
0.410
PET-SGC-f818f65b-1
0.409
TAM-UNI-c140e31a-15
0.409
ELE-IMP-dfb36048-1
0.409
SIM-DEM-265738e1-1
0.409
SAM-UNK-903735bd-2
0.409
GAB-REV-4a4e2ff3-3
0.408
WAR-XCH-e55cba98-2
0.407
PAT-UNK-b2d83456-5
0.404
JOH-MSK-d60b0211-1
0.404
NIR-THE-0d6461ce-2
0.402
JOK-SYG-b7365cd7-1
0.400
GAB-REV-4a4e2ff3-5
0.400
PET-SGC-1c3a473d-1
0.400
GAB-REV-4a4e2ff3-4
0.398
ASH-UNK-40b46b30-5
0.398
NAU-LAT-81109c57-6
0.396
MAK-UNK-be5ffcbc-6
0.396
NAU-LAT-81109c57-7
0.393
MAK-UNK-be5ffcbc-2
0.392
JOH-MSK-2d8052dc-1
0.391
GAB-REV-4a4e2ff3-1
0.389
MAK-UNK-be5ffcbc-4
0.388
AAR-POS-d2a4d1df-2
0.386
GAB-REV-4a4e2ff3-8
0.386
GAB-REV-4a4e2ff3-9
0.385
GAB-REV-4a4e2ff3-2
0.385
SAM-UNK-903735bd-1
0.384
ROB-UNI-b2e39629-7
0.379
TAM-UNI-c140e31a-22
0.378
GAB-REV-4a4e2ff3-7
0.378
GAB-REV-4a4e2ff3-10
0.375
GAB-REV-4a4e2ff3-17
0.375
JOH-MEM-4bb7e4cc-1
0.374
DUN-NEW-f8ce3686-12
0.374
MAT-GIT-deadff56-1
0.374
WAR-XCH-e55cba98-3
0.373
MAK-UNK-be5ffcbc-5
0.369
MAK-UNK-10572812-12
0.359
DUN-NEW-f8ce3686-21
0.358
DUN-NEW-f8ce3686-24
0.356
MAK-UNK-ec98eaf6-33
0.355
NAU-LAT-30527ac5-4
0.354
GAB-REV-4a4e2ff3-19
0.352
PAT-UNK-b2d83456-4
0.350
JOK-SYG-b9f02a42-1
0.346
CAL-AMP-9edebd8f-1
0.344
DUN-NEW-f8ce3686-10
0.344
ELE-IMP-dfb36048-2
0.344
DAR-DIA-fb20be43-15
0.343
NIR-THE-c331be7a-3
0.342
SAN-PRS-3c4a6997-2
0.341
SAN-PRS-3c4a6997-1
0.341
JOK-SYG-b9f02a42-2
0.339
DAR-DIA-caba39e3-5
0.339
JOK-SYG-b9f02a42-3
0.336
WAR-XCH-e55cba98-5
0.336
NAU-LAT-30527ac5-6
0.333
ROB-UNI-b2e39629-6
0.333
DAR-DIA-fb20be43-14
0.333
DAR-DIA-caba39e3-4
0.331
JAN-GHE-6413aaf8-5
0.330
MAT-GIT-deadff56-3
0.330
DUN-NEW-f8ce3686-11
0.330
JOH-MSK-a63bdd1d-4
0.330
MAR-UCB-195bc32d-16
0.330
HAN-NEW-5f56c3bc-2
0.327
NAU-LAT-0543f7f2-3
0.324
NAU-LAT-30527ac5-5
0.324
BEN-DND-362d364a-8
0.323
ROB-UNI-b2e39629-4
0.323
MAT-GIT-deadff56-2
0.323
JOH-MSK-35a8745a-1
0.319
ALE-ACE-2610ee4d-1
0.319
MAR-UCB-195bc32d-21
0.319