Molecular Properties | |
SMILES: | c1ccc(N2CCC3(CCOC3)C2)nc1 |
MW: | 204.273 |
Fraction sp3: | 0.58 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 25.36 |
cLogP: | 1.6984 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z1401276498 |
Enamine Extended REAL: | s_27____7024750____60866 |
Mcule: | MCULE-5522940296 |
MolPort: | MolPort-027-662-923 |
AAR-POS-0daf6b7e-27
AAR-POS-0daf6b7e-27
0.596
SAN-PRI-c9355cc8-2
0.484
AHN-SAT-d468bb5b-1
0.391
RAF-UNK-26121f85-10
0.362
RAF-UNK-26121f85-6
0.330
RAF-UNK-26121f85-7
0.330
JAR-KUA-672ec752-10
0.329
RAF-UNK-26121f85-3
0.327
SAD-SAT-5b1897b2-3
0.318
JAR-KUA-672ec752-4
0.303
RAF-POL-950dada1-18
0.276
MAT-POS-b5746674-99
0.272
MAR-TRE-74c6519b-36
0.253
MAR-TRE-c8530538-59
0.247
SAD-SAT-f0a2747f-4
0.239
RAF-POL-950dada1-9
0.236
RAF-UNK-26121f85-8
0.226
RAL-THA-9041a04d-1
0.222
RAF-UNK-26121f85-5
0.222
DAR-DIA-8b715a25-18
0.220
AAR-POS-0daf6b7e-22
0.219
HAO-BIO-c9aafde3-5
0.218
MAR-TRE-9c797165-69
0.218
NJA-MAN-b8640440-19
0.216
NJA-MAN-b8640440-29
0.216
MAK-UNK-1bb0b7ee-6
0.215
MAR-TRE-e82e6c98-83
0.215
ABI-SAT-62b2a540-1
0.214
NJA-MAN-b8640440-5
0.212
AAR-POS-0daf6b7e-37
0.212
MAR-TRE-7f7bb9f0-55
0.211
MAK-UNK-1bb0b7ee-2
0.211
SAD-SAT-7d5528d9-50
0.209
MAK-UNK-987948f6-13
0.208
JON-UIO-066ce08b-2
0.203
MAR-TRE-2fd8122f-38
0.202
MAR-TRE-3159af1a-76
0.202
RAF-UNK-26121f85-2
0.202
WAR-XCH-e55cba98-8
0.200
NJA-MAN-b8640440-18
0.200
NJA-MAN-b8640440-14
0.200
MAK-UNK-9e4a73aa-17
0.198
NJA-MAN-b8640440-6
0.198
MAT-POS-590ac91e-27
0.198
WAR-XCH-e55cba98-4
0.196
NJA-MAN-00c90aa2-7
0.196
JOE-SYG-2c9a1216-3
0.193
NJA-MAN-b8640440-16
0.193
NJA-MAN-b8640440-47
0.193
DRA-CSI-7ec17797-7
0.192
DRA-CSI-7ec17797-18
0.192
MAK-UNK-1bb0b7ee-1
0.192
JON-UIO-066ce08b-3
0.192
NJA-MAN-00c90aa2-41
0.191
TRI-UNI-97428359-1
0.191
NJA-MAN-b8640440-21
0.191
RAF-UNK-26121f85-1
0.191
MAR-TRE-4b834d9a-64
0.190
MAR-TRE-c8530538-96
0.190
NJA-MAN-00c90aa2-47
0.189
NJA-MAN-00c90aa2-59
0.189
TRI-UNI-97428359-3
0.189
NJA-MAN-00c90aa2-54
0.189
JON-UIO-066ce08b-1
0.189
DRR-IMP-38dce17f-5
0.189
SAD-SAT-7d5528d9-56
0.189
MAR-TRE-dab8f6ea-22
0.189
NAU-LAT-445f63e5-7
0.188
DRA-CSI-7ec17797-6
0.188
MAR-TRE-dab8f6ea-35
0.188
MAK-UNK-a7992eb3-24
0.188
DAR-DIA-b80f1cd7-6
0.187
NJA-MAN-b8640440-17
0.187
NJA-MAN-b8640440-23
0.187
MAK-UNK-a7992eb3-23
0.186
WAR-XCH-e55cba98-12
0.186
WAR-XCH-b72a1bbc-41
0.186
RAF-UNK-26121f85-4
0.186
MAR-TRE-dab8f6ea-10
0.186
MAR-TRE-4f781e27-33
0.185
NJA-MAN-00c90aa2-17
0.185
NJA-MAN-00c90aa2-19
0.185
SAD-SAT-7d5528d9-5
0.185
NJA-MAN-00c90aa2-35
0.185
NJA-MAN-b8640440-20
0.185
NJA-MAN-00c90aa2-28
0.185
EDJ-MED-6d9ff7d0-5
0.184
NJA-MAN-b8640440-42
0.184
NJA-MAN-00c90aa2-68
0.184
NJA-MAN-00c90aa2-63
0.184
MAR-TRE-dab8f6ea-4
0.184
NJA-MAN-b8640440-22
0.183
NJA-MAN-00c90aa2-11
0.183
NJA-MAN-00c90aa2-20
0.183
NJA-MAN-00c90aa2-22
0.183
NIC-BIO-ec630548-2
0.183
TRI-UNI-97428359-2
0.183
NJA-MAN-00c90aa2-71
0.183
NJA-MAN-00c90aa2-4
0.183
NJA-MAN-00c90aa2-5
0.183