Molecular Properties | |
SMILES: | COC1CCN(Cc2cc(F)cc3c(CNC(C)=O)c[nH]c23)CC1 |
MW: | 333.407 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 57.36 |
cLogP: | 2.5539 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
SAM-UNK-903735bd-1
0.573
MAK-UNK-be5ffcbc-2
0.512
MAK-UNK-be5ffcbc-4
0.506
NAU-LAT-f723e322-1
0.494
STU-CHA-bc0a9883-1
0.494
JOK-SYG-302da050-1
0.494
DAR-DIA-fb20be43-11
0.494
BEN-VAN-d8fd1356-21
0.487
NAU-LAT-f723e322-2
0.473
SCO-VAN-260d9628-7
0.465
SCO-VAN-260d9628-8
0.460
BEN-VAN-d8fd1356-22
0.452
SAM-UNK-83e03154-1
0.451
JOK-SYG-302da050-2
0.429
NIR-THE-0d6461ce-2
0.406
BEN-VAN-d8fd1356-24
0.391
DAR-DIA-fb20be43-14
0.374
JOK-SYG-b9f02a42-3
0.363
BEN-VAN-d8fd1356-25
0.363
NIR-THE-0d6461ce-3
0.360
DAR-DIA-fb20be43-15
0.357
WIL-LEE-1f71e281-6
0.356
TAM-UNI-c140e31a-15
0.352
PET-SGC-f818f65b-1
0.352
SAM-UNK-903735bd-2
0.352
SIM-DEM-265738e1-1
0.352
ELE-IMP-dfb36048-1
0.352
JOH-MSK-d60b0211-1
0.351
PAT-UNK-b2d83456-5
0.351
BEN-VAN-d8fd1356-27
0.347
GAB-REV-4a4e2ff3-8
0.347
JOK-SYG-b9f02a42-1
0.347
DUN-NEW-f8ce3686-11
0.344
MAK-UNK-ec98eaf6-33
0.343
GAB-REV-4a4e2ff3-3
0.343
MAK-UNK-be5ffcbc-6
0.340
JOK-SYG-b9f02a42-2
0.340
CES-WAB-18e74d70-2
0.333
ORN-MSD-5b974918-1
0.333
TAM-UNI-c140e31a-2
0.333
MAK-UNK-be5ffcbc-9
0.333
GAB-REV-4a4e2ff3-15
0.330
ASH-UNK-40b46b30-5
0.330
TAM-UNI-c140e31a-20
0.327
NAU-LAT-81109c57-7
0.318
MAK-UNK-be5ffcbc-5
0.317
NAU-LAT-81109c57-6
0.317
JOK-SYG-b7365cd7-1
0.316
JPB-FNM-6f110b99-1
0.315
GAB-REV-4a4e2ff3-4
0.312
PET-SGC-1c3a473d-1
0.311
SCO-VAN-260d9628-5
0.310
GAB-REV-4a4e2ff3-19
0.302
GAB-REV-4a4e2ff3-6
0.300
BEN-VAN-d8fd1356-20
0.298
GAB-REV-4a4e2ff3-18
0.296
PAT-UNK-b2d83456-4
0.296
MAK-UNK-ec98eaf6-34
0.294
MAK-UNK-10dfa458-15
0.292
JAN-GHE-6413aaf8-5
0.291
DUN-NEW-f8ce3686-24
0.291
GAB-REV-4a4e2ff3-1
0.291
LON-WEI-af038623-6
0.290
MAK-UNK-72b7ba6b-1
0.286
GAB-REV-4a4e2ff3-16
0.286
MAK-UNK-176ca439-5
0.286
NAU-LAT-81109c57-5
0.284
GAB-REV-4a4e2ff3-21
0.284
GAB-REV-4a4e2ff3-14
0.283
AAR-POS-d2a4d1df-2
0.281
DAR-DIA-caba39e3-6
0.281
BEN-VAN-d8fd1356-23
0.276
MAT-POS-162a9720-8
0.270
GAB-REV-4a4e2ff3-17
0.270
NAU-LAT-81109c57-3
0.269
MAK-UNK-10572812-12
0.269
DAR-DIA-eace69ff-30
0.269
WAR-XCH-e55cba98-5
0.267
GAB-REV-4a4e2ff3-13
0.266
GAB-REV-4a4e2ff3-2
0.265
GAB-REV-4a4e2ff3-9
0.265
SAM-UNK-83e03154-2
0.265
GAB-REV-4a4e2ff3-20
0.263
TAM-UNI-c140e31a-3
0.261
TAM-UNI-c140e31a-22
0.261
DUN-NEW-f8ce3686-21
0.260
BEN-VAN-d8fd1356-26
0.260
NAU-LAT-81109c57-4
0.260
ASH-UNK-40b46b30-7
0.259
GAB-REV-4a4e2ff3-10
0.259
JOH-MSK-a63bdd1d-1
0.258
BEN-VAN-d8fd1356-28
0.255
DAR-DIA-fb20be43-10
0.255
SAD-SAT-f0a2747f-8
0.255
GAB-REV-4a4e2ff3-11
0.254
WAR-XCH-e55cba98-3
0.254
GAB-REV-4a4e2ff3-12
0.254
SAN-PRS-3c4a6997-4
0.253
GAB-REV-4a4e2ff3-5
0.252
WAR-XCH-e55cba98-2
0.252