Molecular Properties | |
SMILES: | O=C1C(c2ccccc2)OCCN1c1cccnc1 |
MW: | 254.289 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 42.43 |
cLogP: | 2.1861 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
DAR-DIA-fc970077-7
0.500
DAR-DIA-fc970077-1
0.444
DAR-DIA-fc970077-12
0.443
DAR-DIA-fc970077-6
0.403
DAR-DIA-fc970077-10
0.403
ERI-UCB-ce40166b-24
0.400
DAR-DIA-fc970077-5
0.366
DAR-DIA-fc970077-11
0.365
DAR-DIA-fc970077-4
0.365
MAR-TRE-9c797165-66
0.358
DAR-DIA-fc970077-2
0.356
ERI-UCB-ce40166b-22
0.337
ALP-UNI-58319883-2
0.333
PET-UNK-431b3bfb-1
0.333
EMI-TUK-b780fc43-1
0.329
EMI-TUK-6c6b371f-1
0.329
DAR-DIA-fc970077-3
0.328
MAR-TRE-9c797165-7
0.326
SIM-SYN-a98e6a07-5
0.314
MAK-UNK-9e4a73aa-3
0.310
SIM-SYN-a98e6a07-6
0.303
KEN-MCD-4729dc98-1
0.302
RAI-NOV-c18e0037-6
0.299
PET-UNK-4dc48bbe-7
0.296
PET-UNK-4dc48bbe-9
0.295
NIM-UNI-0ea3b7bf-5
0.291
RAI-NOV-c18e0037-7
0.289
BEN-DND-031a96cc-3
0.287
PET-UNK-4dc48bbe-1
0.286
PET-UNK-7a31b064-6
0.284
JAN-GHE-83b26c96-18
0.278
EDJ-MED-e66f2cc5-2
0.277
NIM-UNI-36e12f95-1
0.277
MIC-UNK-df342a3f-1
0.277
NIM-UNI-7f77122c-1
0.276
PET-UNK-7a31b064-5
0.276
RAI-NOV-c18e0037-4
0.275
SAN-PRI-c9355cc8-2
0.273
PET-UNK-4dc48bbe-2
0.268
MAK-UNK-9e4a73aa-2
0.267
NIM-UNI-36e12f95-2
0.266
MAR-TRE-74c6519b-51
0.264
JAN-GHE-d851b096-5
0.264
MAK-UNK-9e4a73aa-11
0.262
ZAC-MCD-b48cf8fd-1
0.262
KTA-UNK-dac325de-1
0.261
MAR-TRE-74c6519b-26
0.260
MAK-UNK-9e4a73aa-10
0.259
DUN-NEW-d8381160-1
0.259
MAR-TRE-dab8f6ea-28
0.258
RAI-NOV-c18e0037-1
0.256
MAK-UNK-9e4a73aa-27
0.253
MAK-UNK-9e4a73aa-22
0.253
MAK-UNK-9e4a73aa-24
0.253
MAK-UNK-9e4a73aa-25
0.253
MAK-UNK-9e4a73aa-26
0.253
RAI-NOV-c18e0037-2
0.253
MAK-UNK-9e4a73aa-23
0.253
WAR-XCH-b0339bbe-19
0.250
MAK-UNK-9e4a73aa-12
0.250
MAK-UNK-9e4a73aa-7
0.247
MAK-UNK-9e4a73aa-8
0.247
MAK-UNK-9e4a73aa-21
0.247
MAR-TRE-04c86cea-13
0.247
MAR-TRE-85681e92-62
0.246
MIC-UNK-df342a3f-2
0.245
NIM-UNI-0ea3b7bf-4
0.244
MAR-TRE-04c86cea-46
0.244
BEN-BAS-edf2ae6d-1
0.244
MAK-UNK-9e4a73aa-20
0.244
MAR-TRE-74c6519b-18
0.244
BEN-DND-031a96cc-2
0.242
PET-UNK-4dc48bbe-3
0.241
LON-WEI-120e5cf5-11
0.241
PET-UNK-4dc48bbe-5
0.241
NIM-UNI-7f77122c-2
0.239
MAK-UNK-9e4a73aa-35
0.239
MAR-TRE-2fd8122f-90
0.239
WIL-UNI-5578df48-20
0.239
MAK-UNK-9e4a73aa-5
0.239
SAD-SAT-2fd372d1-7
0.237
MAR-TRE-9c797165-22
0.237
MAK-UNK-9e4a73aa-36
0.237
MAR-TRE-2fd8122f-72
0.236
MAK-UNK-f0bfc2e0-2
0.236
DAV-CRI-1c77f7a9-3
0.235
LON-WEI-adc59df6-62
0.235
LON-WEI-adc59df6-63
0.235
LON-WEI-adc59df6-71
0.235
JAV-UNI-4503e1e6-1
0.234
MAR-TRE-dab8f6ea-15
0.234
ALE-HEI-f28a35b5-16
0.234
JOH-IMS-62aeb97d-4
0.234
MAR-TRE-f6f5f473-74
0.233
FOC-CAS-e3a94da8-1
0.232
BEN-DND-031a96cc-1
0.232
SAD-SAT-135344c3-1
0.232
DAV-CRI-1c77f7a9-6
0.230
SEL-UNI-8426c22c-4
0.230
MAR-TRE-b77b7921-87
0.230