Molecular Properties | |
SMILES: | COc1ccc2[nH]cc(CCN(C)C)c2c1 |
MW: | 218.14 |
Fraction sp3: | 0.38 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 28.26 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1477007495 |
DAR-DIA-eace69ff-35
0.686
JOH-MSK-a63bdd1d-7
0.673
MAR-UCB-195bc32d-19
0.600
JOH-MSK-a63bdd1d-9
0.600
MAR-TRE-85681e92-12
0.582
MAR-UCB-195bc32d-21
0.574
MAR-UNI-9ca61fdc-1
0.574
JOH-MSK-35a8745a-1
0.574
ALE-ACE-2610ee4d-1
0.574
MAR-TRE-d3c2bf0e-32
0.530
ANT-OPE-47f3bb65-4
0.525
ANT-OPE-47f3bb65-5
0.516
ANT-OPE-47f3bb65-2
0.500
LON-WEI-b8d98729-34
0.492
ANT-OPE-47f3bb65-1
0.492
ANT-OPE-47f3bb65-3
0.492
TOM-OIS-cbf37265-2
0.492
MAR-TRE-be9ff7d2-73
0.479
JOH-MSK-a63bdd1d-10
0.474
MAR-TRE-fffca54f-95
0.427
MAR-TRE-85681e92-20
0.421
MAR-TRE-4f39ef4a-34
0.418
JOH-MSK-a63bdd1d-5
0.403
MAR-TRE-c317dd82-38
0.383
MAR-TRE-85681e92-10
0.355
JOH-MSK-a63bdd1d-4
0.329
MAR-UCB-195bc32d-16
0.329
SAN-PRS-3c4a6997-4
0.324
JOH-MSK-a63bdd1d-6
0.318
MAR-TRE-d3c2bf0e-19
0.312
MAR-UCB-195bc32d-5
0.311
AAR-POS-d2a4d1df-2
0.306
SAN-PRS-3c4a6997-1
0.306
NAU-LAT-81109c57-1
0.295
MAR-TRE-be9ff7d2-7
0.294
DUN-NEW-f8ce3686-12
0.293
MAT-GIT-deadff56-1
0.293
JOH-MEM-4bb7e4cc-1
0.293
MAR-UCB-195bc32d-20
0.293
JOH-MEM-5e386bbd-7
0.292
DAR-DIA-eace69ff-36
0.288
DAR-DIA-eace69ff-37
0.288
NAU-LAT-81109c57-8
0.282
MAR-UCB-195bc32d-4
0.282
ABI-SAT-30e287c1-2
0.278
MAK-UNK-be5ffcbc-8
0.276
JOH-MSK-a63bdd1d-1
0.276
MAT-POS-b5746674-65
0.276
MAR-TRE-3724962b-29
0.271
SCO-VAN-260d9628-5
0.270
AUS-ARG-7cfdce8f-4
0.267
JOH-MSK-a63bdd1d-8
0.264
MAR-TRE-3724962b-25
0.262
ALP-POS-a3de0cb1-15
0.261
WIL-LEE-364b6ea8-13
0.256
JOH-MSK-a63bdd1d-2
0.256
MAR-TRE-04c86cea-51
0.256
MAR-TRE-92684b97-67
0.253
MAR-TRE-c317dd82-56
0.253
MAR-TRE-4f39ef4a-31
0.253
AMI-SHA-be6e1b75-1
0.250
JOH-MEM-5e386bbd-4
0.250
DAR-DIA-eace69ff-21
0.250
MAR-TRE-4f39ef4a-26
0.250
AMI-SHA-0ab64bbd-1
0.250
MAR-TRE-85681e92-45
0.250
SAN-PRS-3c4a6997-2
0.250
FRA-LAB-04e32718-1
0.247
NAU-LAT-81109c57-4
0.247
MAR-TRE-85681e92-38
0.247
MAR-TRE-85681e92-60
0.247
MAK-UNK-be5ffcbc-3
0.244
MAK-UNK-be5ffcbc-1
0.244
MAR-TRE-36bf7dba-75
0.244
JOH-MSK-ec639444-3
0.243
NAU-LAT-81109c57-2
0.241
MAR-TRE-4f39ef4a-51
0.241
MAR-TRE-4f39ef4a-57
0.239
MAR-UCB-195bc32d-10
0.237
MAK-UNK-be5ffcbc-7
0.236
ALP-POS-8ed8d9ec-2
0.234
MAR-TRE-4f781e27-26
0.233
TOM-OIS-cbf37265-1
0.232
MAK-UNK-37f1d6fa-7
0.228
MAR-TRE-be9ff7d2-10
0.227
AMD-UAU-3d234461-1
0.227
MAT-POS-b5746674-64
0.226
MAT-POS-4e253971-3
0.224
ALP-POS-19e898d3-2
0.223
MAK-UNK-37f1d6fa-6
0.223
GAB-REV-4a4e2ff3-6
0.222
MAK-UNK-37f1d6fa-3
0.220
ALP-POS-19e898d3-1
0.219
MAR-TRE-7f7bb9f0-83
0.219
JOH-MEM-5e386bbd-3
0.219
MAT-POS-2db6411e-1
0.218
MAK-UNK-10572812-14
0.218
GAB-REV-4a4e2ff3-8
0.217
ANT-OPE-ab37bd51-2
0.217
MAK-UNK-37f1d6fa-2
0.216