Molecular Properties | |
SMILES: | COc1cc(Nc2cc(F)cc3c(CCNC(C)=O)c[nH]c23)cc(OC)c1 |
MW: | 371.412 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 75.38 |
cLogP: | 3.7464 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
GAB-REV-4a4e2ff3-14
0.671
GAB-REV-4a4e2ff3-11
0.554
GAB-REV-4a4e2ff3-18
0.522
LON-WEI-af038623-6
0.518
GAB-REV-4a4e2ff3-21
0.506
NAU-LAT-81109c57-3
0.500
ASH-UNK-40b46b30-7
0.495
MAK-UNK-be5ffcbc-9
0.487
NIR-THE-0d6461ce-3
0.478
TAM-UNI-c140e31a-3
0.474
GAB-REV-4a4e2ff3-13
0.468
MAK-UNK-ec98eaf6-34
0.454
WIL-LEE-1f71e281-6
0.452
GAB-REV-4a4e2ff3-8
0.451
MAK-UNK-be5ffcbc-6
0.448
TAM-UNI-c140e31a-15
0.447
ELE-IMP-dfb36048-1
0.447
SAM-UNK-903735bd-2
0.447
PET-SGC-f818f65b-1
0.447
SIM-DEM-265738e1-1
0.447
AAR-POS-d2a4d1df-2
0.443
GAB-REV-4a4e2ff3-16
0.440
GAB-REV-4a4e2ff3-20
0.440
GAB-REV-4a4e2ff3-12
0.437
JOK-SYG-b7365cd7-1
0.437
TAM-UNI-c140e31a-2
0.435
MAK-UNK-be5ffcbc-2
0.427
NAU-LAT-81109c57-5
0.424
MAK-UNK-be5ffcbc-4
0.422
PET-SGC-1c3a473d-1
0.418
ASH-UNK-40b46b30-5
0.418
SAM-UNK-903735bd-1
0.418
DAR-DIA-fb20be43-14
0.417
STU-CHA-bc0a9883-1
0.415
NAU-LAT-f723e322-1
0.415
DAR-DIA-fb20be43-11
0.415
JOK-SYG-302da050-1
0.415
MAR-UCB-195bc32d-21
0.415
JOH-MSK-35a8745a-1
0.415
ALE-ACE-2610ee4d-1
0.415
NAU-LAT-f723e322-2
0.411
GAB-REV-4a4e2ff3-4
0.402
GAB-REV-4a4e2ff3-9
0.402
NAU-LAT-81109c57-6
0.400
MAK-UNK-be5ffcbc-5
0.400
MAK-UNK-ec98eaf6-33
0.398
GAB-REV-4a4e2ff3-19
0.394
PAT-UNK-b2d83456-5
0.394
JOH-MSK-d60b0211-1
0.394
NIR-THE-0d6461ce-2
0.392
GAB-REV-4a4e2ff3-17
0.390
GAB-REV-4a4e2ff3-5
0.390
GAB-REV-4a4e2ff3-3
0.384
GAB-REV-4a4e2ff3-15
0.384
TAM-UNI-c140e31a-22
0.381
GAB-REV-4a4e2ff3-7
0.381
GAB-REV-4a4e2ff3-1
0.379
GAB-REV-4a4e2ff3-10
0.377
GAB-REV-4a4e2ff3-2
0.375
NAU-LAT-81109c57-7
0.369
ROB-UNI-b2e39629-7
0.367
DAR-DIA-caba39e3-6
0.364
ROB-UNI-b2e39629-6
0.364
JOK-SYG-b9f02a42-3
0.363
WAR-XCH-e55cba98-3
0.362
JOH-MSK-a63bdd1d-4
0.361
MAR-UCB-195bc32d-16
0.361
JOH-MSK-a63bdd1d-1
0.360
WAR-XCH-e55cba98-2
0.358
SAN-PRS-3c4a6997-1
0.357
DAR-DIA-fb20be43-15
0.357
HAN-NEW-5f56c3bc-2
0.356
DAR-DIA-caba39e3-4
0.355
ROB-UNI-b2e39629-4
0.352
BEN-DND-362d364a-8
0.352
PAT-UNK-b2d83456-4
0.351
BEN-VAN-d8fd1356-14
0.351
WAR-XCH-e55cba98-5
0.349
MAK-UNK-10572812-12
0.348
NAU-LAT-81109c57-1
0.344
JOH-MSK-a63bdd1d-5
0.344
JOK-SYG-b9f02a42-2
0.340
JOH-MSK-a63bdd1d-2
0.337
WIL-LEE-364b6ea8-13
0.337
NAU-LAT-0543f7f2-3
0.337
NAU-LAT-30527ac5-5
0.337
ANT-OPE-b90194ad-1
0.336
JOK-SYG-b9f02a42-1
0.333
NAU-LAT-30527ac5-6
0.333
NAU-LAT-30527ac5-4
0.330
JOH-CHE-3504ac3d-2
0.330
DUN-NEW-f8ce3686-10
0.330
CAL-AMP-9edebd8f-1
0.330
DUN-NEW-f8ce3686-21
0.330
ELE-IMP-dfb36048-2
0.330
JOH-MEM-4bb7e4cc-1
0.330
MAT-GIT-deadff56-1
0.330
DUN-NEW-f8ce3686-12
0.330
JOH-MEM-5e386bbd-8
0.326
SAN-PRS-3c4a6997-2
0.325