Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(NCc3ncccn3)cc(F)cc12 |
MW: | 327.363 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 82.7 |
cLogP: | 2.3877 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-13
0.616
GAB-REV-4a4e2ff3-16
0.593
GAB-REV-4a4e2ff3-20
0.593
LON-WEI-af038623-6
0.585
TAM-UNI-c140e31a-3
0.567
ASH-UNK-40b46b30-7
0.539
GAB-REV-4a4e2ff3-11
0.532
NAU-LAT-81109c57-3
0.529
GAB-REV-4a4e2ff3-14
0.524
GAB-REV-4a4e2ff3-6
0.506
GAB-REV-4a4e2ff3-18
0.500
NIR-THE-0d6461ce-3
0.489
MAK-UNK-be5ffcbc-9
0.481
ANT-OPE-b90194ad-1
0.480
NAU-LAT-81109c57-5
0.467
TAM-UNI-c140e31a-2
0.462
GAB-REV-4a4e2ff3-5
0.458
NAU-LAT-81109c57-7
0.449
MAK-UNK-ec98eaf6-34
0.449
WIL-LEE-1f71e281-6
0.447
ASH-UNK-40b46b30-5
0.444
TAM-UNI-c140e31a-15
0.442
SAM-UNK-903735bd-2
0.442
ELE-IMP-dfb36048-1
0.442
PET-SGC-f818f65b-1
0.442
SIM-DEM-265738e1-1
0.442
GAB-REV-4a4e2ff3-12
0.433
JOK-SYG-b7365cd7-1
0.432
GAB-REV-4a4e2ff3-7
0.431
PET-SGC-1c3a473d-1
0.429
MAK-UNK-be5ffcbc-6
0.427
NAU-LAT-f723e322-1
0.426
JOK-SYG-302da050-1
0.426
DAR-DIA-fb20be43-11
0.426
STU-CHA-bc0a9883-1
0.426
GAB-REV-4a4e2ff3-3
0.423
GAB-REV-4a4e2ff3-15
0.423
MAK-UNK-be5ffcbc-2
0.422
WAR-XCH-e55cba98-2
0.422
MAK-UNK-be5ffcbc-4
0.418
GAB-REV-4a4e2ff3-1
0.416
DAR-DIA-caba39e3-6
0.413
SAM-UNK-903735bd-1
0.413
GAB-REV-4a4e2ff3-2
0.412
NAU-LAT-81109c57-6
0.411
NAU-LAT-f723e322-2
0.406
TAM-UNI-c140e31a-22
0.404
AAR-POS-d2a4d1df-2
0.402
NIR-THE-0d6461ce-2
0.402
GAB-REV-4a4e2ff3-8
0.400
WAR-XCH-e55cba98-3
0.398
GAB-REV-4a4e2ff3-4
0.398
MAK-UNK-be5ffcbc-5
0.396
MAK-UNK-10572812-12
0.394
GAB-REV-4a4e2ff3-17
0.387
GAB-REV-4a4e2ff3-9
0.385
MAK-UNK-ec98eaf6-33
0.380
GAB-REV-4a4e2ff3-19
0.376
GAB-REV-4a4e2ff3-10
0.374
ROB-UNI-b2e39629-6
0.360
DUN-NEW-f8ce3686-21
0.356
DAR-DIA-fb20be43-15
0.354
SAN-PRS-3c4a6997-1
0.353
HAN-NEW-5f56c3bc-2
0.352
NIR-THE-c331be7a-3
0.351
JOK-SYG-b9f02a42-2
0.350
BEN-DND-362d364a-8
0.348
ROB-UNI-b2e39629-4
0.348
ROB-UNI-b2e39629-7
0.348
PAT-UNK-b2d83456-4
0.347
PAT-UNK-b2d83456-5
0.347
JOH-MSK-d60b0211-1
0.347
NAU-LAT-30527ac5-5
0.346
JOK-SYG-b9f02a42-3
0.346
NAU-LAT-0543f7f2-3
0.346
WAR-XCH-e55cba98-5
0.345
JOK-SYG-b9f02a42-1
0.343
DAR-DIA-fb20be43-14
0.343
MAR-UCB-195bc32d-16
0.341
JOH-MSK-a63bdd1d-4
0.341
DUN-NEW-f8ce3686-10
0.341
CAL-AMP-9edebd8f-1
0.341
ELE-IMP-dfb36048-2
0.341
DUN-NEW-f8ce3686-24
0.340
NAU-LAT-30527ac5-4
0.339
JOH-MSK-2d8052dc-1
0.339
SAN-PRS-3c4a6997-2
0.337
DAR-DIA-caba39e3-5
0.336
NAU-LAT-30527ac5-6
0.330
ALE-ACE-2610ee4d-1
0.330
JOH-MSK-35a8745a-1
0.330
MAR-UCB-195bc32d-21
0.330
DAR-DIA-caba39e3-4
0.327
JAN-GHE-6413aaf8-5
0.327
DUN-NEW-f8ce3686-11
0.327
JOH-MEM-4bb7e4cc-1
0.326
MAT-GIT-deadff56-1
0.326
DUN-NEW-f8ce3686-12
0.326
SCO-VAN-260d9628-7
0.323
FRA-DIA-8640f307-1
0.317