Molecular Properties | |
SMILES: | CN(C)Cc1c[nH]c2c(N3CCCCCC3)cc(F)cc12 |
MW: | 289.398 |
Fraction sp3: | 0.53 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 22.27 |
cLogP: | 3.749 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-22
0.672
DAR-DIA-eace69ff-21
0.662
DAR-DIA-eace69ff-31
0.656
DAR-DIA-eace69ff-25
0.646
DAR-DIA-eace69ff-23
0.636
MAK-UNK-be5ffcbc-6
0.425
DAR-DIA-eace69ff-33
0.413
DAR-DIA-eace69ff-32
0.405
MAK-UNK-10572812-12
0.350
DAR-DIA-eace69ff-27
0.346
DAR-DIA-eace69ff-18
0.346
DAR-DIA-eace69ff-29
0.338
DAR-DIA-eace69ff-24
0.325
DAR-DIA-eace69ff-34
0.324
DAR-DIA-eace69ff-28
0.321
BEN-VAN-d8fd1356-25
0.318
BEN-VAN-d8fd1356-27
0.303
DAR-DIA-eace69ff-35
0.288
DAR-DIA-eace69ff-12
0.280
BEN-VAN-d8fd1356-21
0.274
SCO-VAN-260d9628-6
0.269
DAR-DIA-eace69ff-26
0.268
WIL-LEE-1f71e281-6
0.264
BEN-VAN-d8fd1356-22
0.264
MAK-UNK-be5ffcbc-2
0.264
SAM-UNK-903735bd-1
0.258
NIR-THE-0d6461ce-2
0.255
MAK-UNK-be5ffcbc-9
0.253
NIR-THE-0d6461ce-3
0.253
ORN-MSD-5b974918-1
0.253
MAK-UNK-be5ffcbc-4
0.247
JOK-SYG-302da050-2
0.242
TAM-UNI-c140e31a-16
0.240
BEN-VAN-d8fd1356-15
0.239
WAR-XCH-e55cba98-3
0.236
GAB-REV-4a4e2ff3-19
0.235
MAK-UNK-be5ffcbc-5
0.235
NAU-LAT-81109c57-6
0.235
NAU-LAT-f723e322-1
0.235
JOK-SYG-302da050-1
0.235
DAR-DIA-fb20be43-11
0.235
STU-CHA-bc0a9883-1
0.235
NAU-LAT-f723e322-2
0.232
BEN-VAN-d8fd1356-11
0.230
BEN-VAN-d8fd1356-16
0.229
JOK-SYG-b7365cd7-1
0.228
WAR-XCH-e55cba98-5
0.227
NAU-LAT-81109c57-4
0.227
NAU-LAT-81109c57-5
0.227
MAK-UNK-ec98eaf6-33
0.225
BEN-VAN-d8fd1356-24
0.225
SAM-UNK-83e03154-1
0.224
NAU-LAT-81109c57-3
0.224
GAB-REV-4a4e2ff3-8
0.224
BEN-VAN-d8fd1356-14
0.223
BEN-VAN-d8fd1356-10
0.223
RED-RED-10c9212c-52
0.221
ELE-IMP-dfb36048-1
0.220
SAM-UNK-903735bd-2
0.220
SIM-DEM-265738e1-1
0.220
TAM-UNI-c140e31a-15
0.220
PET-SGC-f818f65b-1
0.220
GAB-REV-4a4e2ff3-17
0.218
NAU-LAT-81109c57-7
0.217
MAK-UNK-ec98eaf6-34
0.217
MAT-POS-162a9720-8
0.217
GAB-REV-4a4e2ff3-6
0.216
MAR-TRE-3159af1a-37
0.216
NIC-BIO-96ee2ca4-1
0.216
MAR-TRE-3724962b-29
0.215
MAR-TRE-3159af1a-21
0.215
FRA-LAB-04e32718-1
0.214
SAN-PRS-3c4a6997-4
0.214
SCO-VAN-260d9628-7
0.213
BEN-VAN-d8fd1356-26
0.213
MAR-TRE-3159af1a-84
0.212
SCO-VAN-260d9628-8
0.211
GAB-REV-4a4e2ff3-14
0.211
DAR-DIA-03336633-12
0.210
DAR-DIA-eace69ff-36
0.208
TAM-UNI-c140e31a-3
0.208
MAR-TRE-3159af1a-1
0.208
NIC-UNI-f08e2453-2
0.208
DAR-DIA-caba39e3-6
0.207
DUN-NEW-f8ce3686-11
0.206
ASH-UNK-40b46b30-5
0.206
LON-WEI-af038623-6
0.206
COM-UCB-1ef4e90e-19
0.206
TAM-UNI-c140e31a-20
0.204
ASH-UNK-40b46b30-7
0.204
DAR-DIA-eace69ff-4
0.204
JAN-GHE-6413aaf8-8
0.204
MAK-UNK-10572812-2
0.203
MAK-UNK-10572812-4
0.203
GAB-REV-4a4e2ff3-21
0.202
BEN-VAN-d8fd1356-8
0.202
GAB-REV-4a4e2ff3-3
0.202
GAB-REV-4a4e2ff3-4
0.202
TAM-UNI-c140e31a-21
0.202
GAB-REV-4a4e2ff3-2
0.202