Molecular Properties | |
SMILES: | CC(=O)N(CCc1c[nH]c2ccc(O)cc12)c1cncnc1 |
MW: | 296.13 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 82.11 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-85681e92-12
0.700
JOH-MSK-a63bdd1d-9
0.578
MAR-UCB-195bc32d-19
0.578
MAR-UCB-195bc32d-16
0.514
JOH-MSK-a63bdd1d-4
0.514
MAR-TRE-be9ff7d2-10
0.458
MAR-TRE-85681e92-45
0.457
MAR-UCB-195bc32d-4
0.444
JOH-MEM-5e386bbd-7
0.426
MAR-TRE-85681e92-77
0.364
MAR-TRE-be9ff7d2-73
0.360
ANT-OPE-47f3bb65-4
0.359
MAR-TRE-4f39ef4a-31
0.356
MAR-TRE-c317dd82-56
0.356
MAR-UCB-195bc32d-23
0.355
SAN-PRS-3c4a6997-4
0.354
MAR-TRE-36bf7dba-75
0.348
MAR-TRE-92684b97-67
0.345
LON-WEI-b8d98729-34
0.341
ANT-OPE-47f3bb65-1
0.341
TOM-OIS-cbf37265-2
0.341
ANT-OPE-47f3bb65-5
0.338
AAR-POS-d2a4d1df-2
0.338
MAR-TRE-85681e92-60
0.337
MAR-TRE-85681e92-20
0.330
JOH-MSK-35a8745a-1
0.329
ANT-OPE-47f3bb65-2
0.329
ALE-ACE-2610ee4d-1
0.329
MAR-UCB-195bc32d-21
0.329
JOH-MSK-a63bdd1d-5
0.326
ANT-OPE-47f3bb65-3
0.325
MAR-TRE-85681e92-38
0.322
SAN-PRS-3c4a6997-1
0.321
MAR-TRE-85681e92-33
0.318
MAR-TRE-85681e92-68
0.311
MAR-TRE-85681e92-55
0.311
NAU-LAT-81109c57-1
0.310
MAT-GIT-deadff56-1
0.310
DUN-NEW-f8ce3686-12
0.310
MAK-UNK-be5ffcbc-8
0.310
JOH-MEM-4bb7e4cc-1
0.310
MAR-TRE-85681e92-53
0.304
MAR-TRE-c317dd82-38
0.302
NAU-LAT-81109c57-8
0.299
JOH-MSK-a63bdd1d-7
0.299
MAK-UNK-be5ffcbc-7
0.295
MAR-TRE-85681e92-69
0.292
MAR-TRE-4f781e27-26
0.292
MAR-TRE-fffca54f-95
0.290
MAR-TRE-4f781e27-82
0.290
MAR-TRE-04c86cea-51
0.286
DAR-DIA-eace69ff-35
0.286
MAK-UNK-37f1d6fa-2
0.284
MAR-UNI-9ca61fdc-1
0.282
ABI-SAT-30e287c1-2
0.280
JOH-MSK-a63bdd1d-6
0.277
MAK-UNK-be5ffcbc-1
0.277
MAR-TRE-e82e6c98-51
0.277
JOH-MSK-a63bdd1d-10
0.276
SCO-VAN-260d9628-5
0.274
NAU-LAT-81109c57-2
0.274
MAK-UNK-37f1d6fa-3
0.274
SAN-PRS-3c4a6997-2
0.272
MAK-UNK-37f1d6fa-7
0.269
MAR-TRE-d3c2bf0e-32
0.267
MAR-TRE-85681e92-41
0.266
MAR-TRE-3724962b-25
0.265
NAU-LAT-81109c57-4
0.265
MAK-UNK-37f1d6fa-4
0.264
MAK-UNK-37f1d6fa-6
0.264
MAK-UNK-be5ffcbc-3
0.263
MAR-TRE-3724962b-29
0.262
MAK-UNK-37f1d6fa-1
0.259
MAK-UNK-10572812-16
0.259
MAR-TRE-4f781e27-94
0.258
DAR-DIA-eace69ff-36
0.256
AMI-SHA-be6e1b75-1
0.256
AMI-SHA-0ab64bbd-1
0.256
MAR-TRE-4f39ef4a-26
0.255
MAR-TRE-fd17a9b8-41
0.255
MAR-TRE-85681e92-64
0.253
FRA-LAB-04e32718-1
0.253
MAK-UNK-10572812-17
0.252
MAK-UNK-10572812-15
0.250
MAR-TRE-85681e92-81
0.250
JOH-MSK-a63bdd1d-1
0.250
MAK-UNK-10572812-8
0.248
MAR-TRE-4f781e27-69
0.247
MAK-UNK-10572812-14
0.246
MAK-UNK-10572812-9
0.246
MAR-TRE-4f781e27-6
0.245
MAR-TRE-85681e92-98
0.244
MAR-TRE-be9ff7d2-7
0.242
MAR-TRE-b77b7921-67
0.241
DAR-DIA-eace69ff-37
0.241
NAU-LAT-81109c57-5
0.240
ALP-POS-a3de0cb1-15
0.240
MAR-TRE-799db12b-12
0.240
MAR-TRE-be9ff7d2-39
0.240
MAR-TRE-4f781e27-23
0.240