Molecular Properties | |
SMILES: | COc1ccc2[nH]cc(CCN)c2c1 |
MW: | 190.246 |
Fraction sp3: | 0.27 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 51.04 |
cLogP: | 1.6777 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-75859 |
Enamine SCR: | Z1698584701 |
Mcule: | MCULE-7366022899 |
MolPort: | MolPort-002-130-557 |
AAR-POS-d2a4d1df-2
MAR-UCB-195bc32d-23
0.673
DAR-DIA-eace69ff-35
0.627
ALE-ACE-2610ee4d-1
0.603
MAR-UCB-195bc32d-21
0.603
JOH-MSK-35a8745a-1
0.603
MAR-UNI-9ca61fdc-1
0.603
MAR-TRE-d3c2bf0e-32
0.556
MAR-TRE-85681e92-12
0.515
MAR-TRE-be9ff7d2-73
0.500
MAR-TRE-85681e92-20
0.438
MAR-TRE-c317dd82-38
0.416
MAR-TRE-4f39ef4a-34
0.416
JOH-MSK-a63bdd1d-5
0.400
JOH-MSK-a63bdd1d-9
0.371
MAR-UCB-195bc32d-19
0.371
SAN-PRS-3c4a6997-4
0.358
JOH-MSK-a63bdd1d-4
0.343
MAR-UCB-195bc32d-16
0.343
ANT-OPE-47f3bb65-4
0.343
SAN-PRS-3c4a6997-1
0.338
JOH-MSK-a63bdd1d-6
0.329
NAU-LAT-81109c57-8
0.329
ANT-OPE-47f3bb65-2
0.329
MAR-TRE-d3c2bf0e-19
0.324
DAR-DIA-eace69ff-37
0.323
ANT-OPE-47f3bb65-5
0.319
AAR-POS-d2a4d1df-2
0.319
MAR-UCB-195bc32d-4
0.313
NAU-LAT-81109c57-1
0.307
JOH-MEM-5e386bbd-7
0.306
JOH-MEM-4bb7e4cc-1
0.306
MAT-GIT-deadff56-1
0.306
DUN-NEW-f8ce3686-12
0.306
ANT-OPE-47f3bb65-3
0.306
MAR-UCB-195bc32d-20
0.306
MAT-POS-b5746674-65
0.306
LON-WEI-b8d98729-34
0.306
TOM-OIS-cbf37265-2
0.306
ANT-OPE-47f3bb65-1
0.306
MAR-TRE-be9ff7d2-7
0.305
DAR-DIA-eace69ff-36
0.302
MAR-TRE-85681e92-10
0.299
ABI-SAT-30e287c1-2
0.290
JOH-MSK-a63bdd1d-1
0.288
MAK-UNK-be5ffcbc-8
0.288
JOH-MSK-a63bdd1d-10
0.286
SCO-VAN-260d9628-5
0.282
AUS-ARG-7cfdce8f-4
0.276
JOH-MSK-a63bdd1d-8
0.275
MAR-TRE-fffca54f-95
0.268
MAR-TRE-3724962b-29
0.266
JOH-MSK-a63bdd1d-2
0.266
WIL-LEE-364b6ea8-13
0.266
MAR-TRE-04c86cea-51
0.264
MAR-TRE-92684b97-67
0.263
MAR-TRE-c317dd82-56
0.262
SAN-PRS-3c4a6997-2
0.261
JOH-MEM-5e386bbd-4
0.260
AMI-SHA-0ab64bbd-1
0.260
AMI-SHA-be6e1b75-1
0.260
MAR-TRE-85681e92-45
0.259
MAR-TRE-85681e92-38
0.256
NAU-LAT-81109c57-4
0.256
ALP-POS-a3de0cb1-15
0.256
FRA-LAB-04e32718-1
0.256
MAR-TRE-4f781e27-26
0.256
AMD-UAU-3d234461-1
0.254
JOH-MSK-ec639444-3
0.254
MAK-UNK-be5ffcbc-1
0.253
MAK-UNK-be5ffcbc-3
0.253
NAU-LAT-81109c57-2
0.250
MAT-POS-4e253971-3
0.250
MAT-POS-b5746674-64
0.247
MAR-TRE-4f39ef4a-31
0.247
MAR-TRE-3724962b-25
0.245
MAK-UNK-be5ffcbc-7
0.244
MAR-TRE-85681e92-60
0.241
MAR-TRE-7f7bb9f0-83
0.239
MAR-TRE-36bf7dba-75
0.238
MAR-TRE-be9ff7d2-10
0.235
MAR-TRE-4f39ef4a-51
0.235
MAT-POS-b5746674-66
0.234
MAR-TRE-4f39ef4a-57
0.233
MAR-TRE-fd17a9b8-41
0.232
MAR-UCB-195bc32d-10
0.231
MAK-UNK-37f1d6fa-6
0.230
GAB-REV-4a4e2ff3-6
0.230
MAR-TRE-4f39ef4a-26
0.230
MAR-TRE-fd17a9b8-1
0.229
FEL-WAB-fb168420-3
0.228
ALP-POS-8ed8d9ec-2
0.228
DAR-DIA-eace69ff-21
0.228
MAK-UNK-37f1d6fa-3
0.227
JOH-MEM-5e386bbd-3
0.226
TOM-OIS-cbf37265-1
0.226
MAR-UCB-195bc32d-9
0.224
MAR-TRE-fd17a9b8-35
0.224
MAT-POS-0c8fa4a7-2
0.224
MAK-UNK-37f1d6fa-2
0.223
MAK-UNK-37f1d6fa-7
0.222