Molecular Properties | |
SMILES: | CC(=O)NCCc1c[nH]c2c(N(C)c3cc4c(cc3Cl)OCO4)cc(F)cc12 |
MW: | 403.841 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.59 |
cLogP: | 4.1356 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
MAK-UNK-be5ffcbc-9
0.476
JOK-SYG-b7365cd7-1
0.446
WIL-LEE-1f71e281-6
0.444
GAB-REV-4a4e2ff3-17
0.439
NAU-LAT-81109c57-6
0.439
MAK-UNK-be5ffcbc-2
0.436
MAK-UNK-be5ffcbc-4
0.432
SAM-UNK-903735bd-1
0.427
MAK-UNK-be5ffcbc-6
0.426
SIM-DEM-265738e1-1
0.424
SAM-UNK-903735bd-2
0.424
PET-SGC-f818f65b-1
0.424
TAM-UNI-c140e31a-15
0.424
ELE-IMP-dfb36048-1
0.424
STU-CHA-bc0a9883-1
0.410
DAR-DIA-fb20be43-11
0.410
NAU-LAT-f723e322-1
0.410
JOK-SYG-302da050-1
0.410
MAK-UNK-be5ffcbc-5
0.410
ROB-UNI-b2e39629-4
0.409
BEN-DND-362d364a-8
0.409
ROB-UNI-b2e39629-6
0.407
NIR-THE-0d6461ce-2
0.402
NIR-THE-0d6461ce-3
0.398
MAK-UNK-ec98eaf6-33
0.394
GAB-REV-4a4e2ff3-6
0.394
NAU-LAT-f723e322-2
0.392
GAB-REV-4a4e2ff3-14
0.392
NAU-LAT-81109c57-5
0.390
SAN-PRS-3c4a6997-1
0.386
AAR-POS-d2a4d1df-2
0.386
GAB-REV-4a4e2ff3-8
0.386
NAU-LAT-81109c57-3
0.386
ASH-UNK-40b46b30-5
0.384
LON-WEI-af038623-6
0.384
GAB-REV-4a4e2ff3-15
0.381
MAK-UNK-ec98eaf6-34
0.380
GAB-REV-4a4e2ff3-21
0.376
GAB-REV-4a4e2ff3-9
0.373
TAM-UNI-c140e31a-2
0.373
ASH-UNK-40b46b30-7
0.371
DAR-DIA-fb20be43-15
0.369
DAR-DIA-caba39e3-6
0.363
GAB-REV-4a4e2ff3-2
0.360
GAB-REV-4a4e2ff3-4
0.360
TAM-UNI-c140e31a-3
0.358
GAB-REV-4a4e2ff3-18
0.358
GAB-REV-4a4e2ff3-20
0.357
GAB-REV-4a4e2ff3-12
0.357
GAB-REV-4a4e2ff3-3
0.355
GAB-REV-4a4e2ff3-13
0.352
GAB-REV-4a4e2ff3-10
0.351
PET-SGC-1c3a473d-1
0.349
GAB-REV-4a4e2ff3-5
0.349
WAR-XCH-e55cba98-3
0.348
DAR-DIA-fb20be43-14
0.346
GAB-REV-4a4e2ff3-16
0.345
WAR-XCH-e55cba98-2
0.345
JOH-MSK-a63bdd1d-5
0.344
JOH-CHE-3504ac3d-2
0.343
NAU-LAT-81109c57-7
0.342
TAM-UNI-c140e31a-22
0.342
GAB-REV-4a4e2ff3-7
0.342
HAN-NEW-5f56c3bc-2
0.340
GAB-REV-4a4e2ff3-1
0.339
ROB-UNI-b2e39629-7
0.337
PAT-UNK-b2d83456-5
0.337
JOH-MSK-d60b0211-1
0.337
JOK-SYG-b9f02a42-3
0.336
GAB-REV-4a4e2ff3-11
0.336
WAR-XCH-e55cba98-5
0.336
MAK-UNK-10572812-12
0.336
ALE-ACE-2610ee4d-1
0.333
JOK-SYG-b9f02a42-1
0.333
MAR-UCB-195bc32d-21
0.333
JOH-MSK-35a8745a-1
0.333
FRA-DIA-8640f307-1
0.331
JOH-MSK-a63bdd1d-1
0.330
JOH-MSK-a63bdd1d-4
0.330
MAR-UCB-195bc32d-16
0.330
JOK-SYG-b9f02a42-2
0.327
DUN-NEW-f8ce3686-11
0.317
DUN-NEW-f8ce3686-10
0.316
ELE-IMP-dfb36048-2
0.316
CAL-AMP-9edebd8f-1
0.316
DUN-NEW-f8ce3686-21
0.316
DAR-DIA-caba39e3-5
0.316
JOH-MEM-4bb7e4cc-1
0.316
MAT-GIT-deadff56-1
0.316
DUN-NEW-f8ce3686-12
0.316
FRA-DIA-8640f307-3
0.315
NAU-LAT-30527ac5-5
0.312
NAU-LAT-0543f7f2-3
0.312
TAM-UNI-c140e31a-16
0.311
PAT-UNK-b2d83456-4
0.311
NAU-LAT-30527ac5-6
0.310
JOH-MSK-a63bdd1d-2
0.310
WIL-LEE-364b6ea8-13
0.310
MAK-UNK-10799360-31
0.308
NAU-LAT-30527ac5-4
0.308