Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(Nc3ccc4ncccc4c3)cc(F)cc12 |
MW: | 362.408 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 69.81 |
cLogP: | 4.2774 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-14
0.609
GAB-REV-4a4e2ff3-7
0.564
GAB-REV-4a4e2ff3-6
0.554
GAB-REV-4a4e2ff3-21
0.532
GAB-REV-4a4e2ff3-18
0.530
ASH-UNK-40b46b30-7
0.520
TAM-UNI-c140e31a-3
0.485
NAU-LAT-81109c57-3
0.480
GAB-REV-4a4e2ff3-16
0.454
GAB-REV-4a4e2ff3-20
0.454
GAB-REV-4a4e2ff3-13
0.452
TAM-UNI-c140e31a-2
0.450
LON-WEI-af038623-6
0.449
PET-SGC-1c3a473d-1
0.434
MAK-UNK-be5ffcbc-9
0.433
GAB-REV-4a4e2ff3-15
0.429
NAU-LAT-81109c57-7
0.426
NAU-LAT-81109c57-5
0.426
GAB-REV-4a4e2ff3-12
0.425
NIR-THE-0d6461ce-3
0.419
GAB-REV-4a4e2ff3-3
0.415
TAM-UNI-c140e31a-22
0.411
GAB-REV-4a4e2ff3-5
0.407
WIL-LEE-1f71e281-6
0.406
SAM-UNK-903735bd-2
0.402
ELE-IMP-dfb36048-1
0.402
PET-SGC-f818f65b-1
0.402
TAM-UNI-c140e31a-15
0.402
SIM-DEM-265738e1-1
0.402
MAK-UNK-ec98eaf6-34
0.400
GAB-REV-4a4e2ff3-1
0.396
GAB-REV-4a4e2ff3-8
0.394
GAB-REV-4a4e2ff3-2
0.393
GAB-REV-4a4e2ff3-4
0.393
ASH-UNK-40b46b30-5
0.392
MAK-UNK-be5ffcbc-6
0.390
WAR-XCH-e55cba98-2
0.389
MAK-UNK-be5ffcbc-2
0.386
GAB-REV-4a4e2ff3-10
0.383
MAK-UNK-be5ffcbc-4
0.382
WAR-XCH-e55cba98-3
0.381
JOK-SYG-b7365cd7-1
0.380
SAM-UNK-903735bd-1
0.379
MAK-UNK-10572812-12
0.378
NAU-LAT-f723e322-1
0.377
DAR-DIA-fb20be43-11
0.377
STU-CHA-bc0a9883-1
0.377
JOK-SYG-302da050-1
0.377
NAU-LAT-30527ac5-4
0.374
NAU-LAT-f723e322-2
0.374
GAB-REV-4a4e2ff3-17
0.371
GAB-REV-4a4e2ff3-9
0.368
AAR-POS-d2a4d1df-2
0.366
NAU-LAT-81109c57-6
0.364
DAR-DIA-caba39e3-6
0.359
NIR-THE-0d6461ce-2
0.358
NAU-LAT-30527ac5-5
0.357
NAU-LAT-0543f7f2-3
0.357
MAK-UNK-be5ffcbc-5
0.352
MAK-UNK-ec98eaf6-33
0.351
PAT-UNK-b2d83456-5
0.346
JOH-MSK-d60b0211-1
0.346
ANT-OPE-b90194ad-1
0.345
GAB-REV-4a4e2ff3-19
0.336
PAT-UNK-b2d83456-4
0.333
BEN-VAN-d8fd1356-14
0.333
NAU-LAT-30527ac5-6
0.331
DAR-DIA-fb20be43-15
0.327
ELE-IMP-dfb36048-2
0.327
DUN-NEW-f8ce3686-21
0.327
CAL-AMP-9edebd8f-1
0.327
DUN-NEW-f8ce3686-10
0.327
HAN-NEW-5f56c3bc-2
0.324
SAN-PRS-3c4a6997-1
0.323
SAN-PRS-3c4a6997-2
0.323
BEN-DND-362d364a-8
0.320
ROB-UNI-b2e39629-4
0.320
ROB-UNI-b2e39629-7
0.320
ROB-UNI-b2e39629-6
0.317
JAN-GHE-6413aaf8-5
0.315
DUN-NEW-f8ce3686-24
0.315
JOH-CHE-3504ac3d-2
0.315
DUN-NEW-f8ce3686-11
0.315
SHR-UNK-cde60afe-1
0.314
MAT-GIT-deadff56-1
0.313
DUN-NEW-f8ce3686-12
0.313
JOH-MEM-4bb7e4cc-1
0.313
MAR-UCB-195bc32d-16
0.312
JOH-MSK-a63bdd1d-4
0.312
WAR-XCH-e55cba98-5
0.311
JOK-SYG-b9f02a42-3
0.310
JOK-SYG-b9f02a42-1
0.307
DAR-DIA-fb20be43-14
0.307
MAR-UCB-195bc32d-21
0.303
JOH-MSK-35a8745a-1
0.303
ALE-ACE-2610ee4d-1
0.303
MAR-TRE-c317dd82-56
0.303
JOK-SYG-b9f02a42-2
0.302
JOH-MSK-a63bdd1d-5
0.301
JOH-MSK-2d8052dc-1
0.295