Molecular Properties | |
SMILES: | CCCc1c[nH]c2c(OC3CCN(C(C)=O)CC3)cc(F)cc12 |
MW: | 318.392 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.33 |
cLogP: | 3.6492 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-25
0.794
BEN-VAN-d8fd1356-28
0.575
BEN-VAN-d8fd1356-26
0.494
BEN-VAN-d8fd1356-29
0.438
BEN-VAN-d8fd1356-16
0.422
NIR-THE-0d6461ce-2
0.385
BEN-VAN-d8fd1356-21
0.376
BEN-VAN-d8fd1356-10
0.374
NIR-THE-0d6461ce-3
0.367
SAM-UNK-903735bd-1
0.366
MAK-UNK-be5ffcbc-2
0.359
NAU-LAT-81109c57-5
0.358
SCO-VAN-260d9628-6
0.347
NAU-LAT-f723e322-2
0.347
GAB-REV-4a4e2ff3-9
0.343
MAK-UNK-be5ffcbc-4
0.340
DAR-DIA-eace69ff-18
0.337
DAR-DIA-eace69ff-27
0.337
JOK-SYG-302da050-1
0.337
DAR-DIA-fb20be43-11
0.337
STU-CHA-bc0a9883-1
0.337
NAU-LAT-f723e322-1
0.337
MAK-UNK-be5ffcbc-6
0.333
GAB-REV-4a4e2ff3-2
0.330
MAK-UNK-be5ffcbc-9
0.326
MAK-UNK-ec98eaf6-33
0.324
BEN-VAN-d8fd1356-22
0.319
WIL-LEE-1f71e281-6
0.319
SIM-DEM-265738e1-1
0.315
ELE-IMP-dfb36048-1
0.315
TAM-UNI-c140e31a-15
0.315
SAM-UNK-903735bd-2
0.315
PET-SGC-f818f65b-1
0.315
GAB-REV-4a4e2ff3-8
0.313
GAB-REV-4a4e2ff3-7
0.312
MAK-UNK-ec98eaf6-34
0.311
NAU-LAT-81109c57-6
0.310
MAK-UNK-be5ffcbc-5
0.310
JOK-SYG-b7365cd7-1
0.309
BEN-VAN-d8fd1356-24
0.308
MAK-UNK-10572812-12
0.307
BEN-VAN-d8fd1356-15
0.305
BEN-VAN-d8fd1356-20
0.304
DAR-DIA-eace69ff-30
0.303
PAT-UNK-b2d83456-5
0.303
JOH-MSK-d60b0211-1
0.303
MAK-UNK-212f693e-2
0.300
TAM-UNI-c140e31a-2
0.300
NAU-LAT-81109c57-7
0.299
GAB-REV-4a4e2ff3-3
0.298
GAB-REV-4a4e2ff3-15
0.298
ASH-UNK-40b46b30-5
0.296
GAB-REV-4a4e2ff3-19
0.295
NAU-LAT-81109c57-4
0.290
GAB-REV-4a4e2ff3-14
0.289
ORN-MSD-5b974918-1
0.288
SAN-PRS-3c4a6997-4
0.287
WAR-XCH-e55cba98-5
0.283
GAB-REV-4a4e2ff3-13
0.283
LON-WEI-af038623-6
0.283
GAB-REV-4a4e2ff3-4
0.282
PET-SGC-1c3a473d-1
0.280
GAB-REV-4a4e2ff3-6
0.280
BEN-VAN-d8fd1356-11
0.279
ASH-UNK-40b46b30-7
0.276
PAT-UNK-b2d83456-4
0.276
DAR-DIA-caba39e3-6
0.274
DAR-DIA-eace69ff-34
0.271
WAR-XCH-e55cba98-3
0.270
DUN-NEW-f8ce3686-11
0.270
JOK-SYG-b9f02a42-3
0.269
WAR-XCH-e55cba98-2
0.268
JOK-SYG-302da050-2
0.267
DAR-DIA-eace69ff-32
0.267
GAB-REV-4a4e2ff3-18
0.266
GAB-REV-4a4e2ff3-21
0.265
DAR-DIA-fb20be43-14
0.264
GAB-REV-4a4e2ff3-17
0.263
SAM-UNK-83e03154-1
0.262
NAU-LAT-81109c57-3
0.262
FRA-DIA-8640f307-1
0.262
BEN-VAN-d8fd1356-8
0.262
GAB-REV-4a4e2ff3-1
0.261
DAR-DIA-eace69ff-33
0.261
JAN-GHE-6413aaf8-5
0.260
DAR-DIA-fb20be43-15
0.260
BEN-VAN-d8fd1356-7
0.259
GAB-REV-4a4e2ff3-12
0.259
AAR-POS-d2a4d1df-2
0.258
RED-RED-10c9212c-33
0.257
GAB-REV-4a4e2ff3-16
0.257
BEN-VAN-d8fd1356-23
0.255
MAR-TRE-3159af1a-37
0.255
MAR-TRE-3159af1a-1
0.255
TAM-UNI-c140e31a-3
0.255
TAM-UNI-c140e31a-22
0.254
JON-UNI-bb9dc649-8
0.253
NAU-LAT-81109c57-1
0.253
SCO-VAN-260d9628-7
0.253
TAM-UNI-c140e31a-16
0.252