Molecular Properties | |
SMILES: | COc1ccc(N(Cc2ccoc2)C(=O)Cc2c[nH]c3ccccc23)cc1 |
MW: | 360.15 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 58.47 |
cLogP: | 4.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-a3de0cb1-15
0.734
ALP-POS-8ed8d9ec-6
0.521
MAR-TRE-85681e92-68
0.409
MAR-TRE-85681e92-53
0.385
MAR-TRE-85681e92-69
0.384
MAR-UCB-195bc32d-22
0.360
ALP-POS-8ed8d9ec-1
0.355
NIM-UNI-310206f0-31
0.342
CUN-WAB-25b584ee-2
0.341
MAR-UCB-195bc32d-9
0.341
SAN-PRS-3c4a6997-2
0.333
MAR-TRE-36bf7dba-26
0.333
AAR-UNI-c25c2f1e-29
0.327
MAR-TRE-36bf7dba-27
0.324
NIC-BIO-3276ca7f-7
0.323
ANT-OPE-ab37bd51-2
0.323
MAR-TRE-36bf7dba-21
0.321
AAR-UNI-c25c2f1e-34
0.321
ALP-POS-75715966-3
0.318
ALP-POS-bad7201a-5
0.312
MAR-TRE-4f39ef4a-9
0.311
JOH-MSK-a63bdd1d-10
0.310
ALP-POS-a3de0cb1-14
0.309
AAR-UNI-c25c2f1e-73
0.308
NIM-UNI-310206f0-49
0.308
CHO-MSK-00c5269a-2
0.306
MAR-TRE-85681e92-33
0.303
TAT-ENA-80bfd3e5-16
0.303
FEL-WAB-fb168420-3
0.303
MAR-UCB-195bc32d-18
0.302
MAR-TRE-4f781e27-69
0.301
MAR-TRE-b77b7921-67
0.301
AAR-UNI-c25c2f1e-72
0.300
ALP-POS-25b4df59-2
0.296
RED-RED-10c9212c-42
0.295
MAR-TRE-4f39ef4a-5
0.294
NIC-BIO-3276ca7f-2
0.294
MAT-POS-162a9720-8
0.293
NJA-MAN-b9fb953f-5
0.293
CUN-WAB-25b584ee-1
0.291
SUN-WAB-e274cdaf-1
0.288
ALP-POS-bad7201a-3
0.287
MAR-TRE-f5c2d31c-47
0.286
RED-RED-10c9212c-33
0.284
MAR-TRE-fd17a9b8-35
0.279
ALP-POS-8ed8d9ec-10
0.278
YIA-UNI-71f25a82-1
0.278
ALP-POS-8ed8d9ec-12
0.275
MAR-TRE-4f781e27-6
0.274
PET-UNK-1901c25b-1
0.270
UNK-UNK-2ede4078-66
0.270
AAR-UNI-c25c2f1e-26
0.270
LON-WEI-4d77710c-20
0.270
LON-WEI-5e7d1b3e-20
0.270
ALP-POS-bad7201a-2
0.269
YIA-UNI-71f25a82-2
0.269
MAR-TRE-74c6519b-79
0.269
MAR-TRE-92684b97-10
0.267
FEL-WAB-fb168420-2
0.266
MAR-TRE-fd17a9b8-10
0.266
MAR-TRE-be9ff7d2-73
0.264
MAT-POS-ea426761-94
0.263
MAR-TRE-fd17a9b8-18
0.263
ALP-POS-75715966-2
0.263
ALP-POS-25b4df59-1
0.261
BRU-UNI-248b30bc-12
0.261
MAR-TRE-4f781e27-96
0.260
DAR-DIA-eace69ff-35
0.258
ALP-POS-a3de0cb1-16
0.258
MAR-TRE-fd17a9b8-25
0.258
MAR-UCB-195bc32d-21
0.258
JOH-MSK-35a8745a-1
0.258
ALE-ACE-2610ee4d-1
0.258
MAR-TRE-85681e92-12
0.257
ALP-POS-a3de0cb1-3
0.257
ALP-POS-a3de0cb1-11
0.254
ALP-POS-bad7201a-7
0.252
ALP-POS-bad7201a-13
0.252
UNK-UNK-2ede4078-29
0.252
MAK-UNK-b7886382-2
0.252
PET-UNK-55f647aa-2
0.250
SAL-INS-68b48d12-10
0.250
WIL-UNI-1faa9b10-29
0.248
RAL-THA-2d450e86-4
0.248
ALP-POS-bad7201a-6
0.246
UNK-UNK-2ede4078-72
0.246
MAT-POS-3b92565d-5
0.245
MAR-TRE-f6f5f473-6
0.244
DAR-DIA-093892e4-3
0.244
MAR-TRE-799db12b-84
0.242
IAN-BAS-8ad3d156-1
0.242
GAB-REV-df64cf17-18
0.241
ANT-OPE-ab37bd51-1
0.240
LIZ-THE-8e85e675-1
0.240
ALP-POS-7c842ab8-2
0.240
ALP-POS-c3a96089-1
0.239
MAR-TRE-9d18ae8c-91
0.239
FAR-UNI-736b943a-8
0.238
AAR-POS-fca48359-10
0.238
ALP-POS-c3a96089-4
0.238