Molecular Properties | |
SMILES: | CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)[C@H]1Cc1cccnc1 |
MW: | 342.442 |
Fraction sp3: | 0.22 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 4.1869 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DAV-CRI-1c77f7a9-1
0.750
DAV-CRI-1c77f7a9-8
0.600
DAV-CRI-1c77f7a9-5
0.570
DAV-CRI-1c77f7a9-4
0.556
DAV-CRI-1c77f7a9-2
0.462
DAV-CRI-1c77f7a9-6
0.457
MIH-UNI-e573136b-14
0.444
DOU-UNK-b5326f8f-15
0.438
DAV-CRI-1c77f7a9-3
0.436
MIH-UNI-e573136b-13
0.412
DAV-CRI-1c77f7a9-7
0.396
MAK-UNK-702fb7d3-7
0.350
MAK-UNK-ec98eaf6-26
0.337
DUN-NEW-d8381160-1
0.330
TRY-UNI-9f475305-12
0.313
MIH-UNI-e573136b-3
0.299
AAR-POS-0daf6b7e-14
0.292
NIM-UNI-36e12f95-2
0.291
NAU-LAT-64f4b287-9
0.289
DAV-IMP-59dd6621-15
0.289
MAK-UNK-702fb7d3-17
0.279
MAR-TRE-74c6519b-51
0.278
NIM-UNI-36e12f95-1
0.277
MAK-UNK-702fb7d3-1
0.275
MAK-UNK-702fb7d3-2
0.275
MAK-UNK-702fb7d3-18
0.275
MAR-TRE-4f781e27-29
0.275
MAK-UNK-702fb7d3-13
0.274
REN-UFA-aaaed2d6-1
0.273
JAR-IMP-ed466bb3-8
0.271
ALP-POS-e980f4ea-29
0.270
MAK-UNK-702fb7d3-19
0.269
REN-UFA-aaaed2d6-3
0.268
DRR-IMP-38dce17f-4
0.267
JAR-IMP-ed466bb3-2
0.267
REN-UFA-aaaed2d6-4
0.267
BRU-THA-92256091-35
0.266
ALP-POS-e980f4ea-23
0.266
MAT-POS-b5746674-1
0.266
MAK-UNK-702fb7d3-3
0.265
ALP-POS-ced8ea4d-29
0.264
DAR-DIA-fc970077-12
0.264
MIC-SGC-657978c3-2
0.263
REN-UFA-aaaed2d6-2
0.263
DRA-CSI-47e38074-2
0.263
LON-WEI-b2874fec-25
0.262
MAR-TRE-f6f5f473-31
0.262
MIC-SGC-657978c3-1
0.260
NIM-UNI-bb9030bf-1
0.260
DAR-DIA-caba39e3-2
0.260
BRU-THA-92256091-45
0.260
MAK-UNK-702fb7d3-20
0.260
MAK-UNK-10799360-24
0.259
MAR-TRE-74c6519b-47
0.258
CHA-MCP-85291e1d-7
0.258
RAI-NOV-a7d52b4a-2
0.257
ALP-POS-ced8ea4d-23
0.256
MIC-SGC-657978c3-4
0.255
DOU-UNK-b5326f8f-17
0.254
MAK-UNK-702fb7d3-14
0.254
REN-UFA-aaaed2d6-5
0.252
JAR-IMP-ed466bb3-3
0.252
REN-UFA-aaaed2d6-6
0.252
BAR-COM-4e090d3a-47
0.252
MAK-UNK-702fb7d3-12
0.252
BAR-COM-4e090d3a-55
0.250
MAR-TRE-fd17a9b8-44
0.250
MIH-UNI-6b9ca91a-7
0.250
SAD-SAT-b55127ae-4
0.250
MAR-TRE-74c6519b-42
0.250
MAK-UNK-702fb7d3-21
0.250
MAK-UNK-702fb7d3-5
0.250
JAC-SHE-fc18d444-1
0.250
JAR-IMP-ed466bb3-17
0.250
MIC-SGC-657978c3-3
0.250
MAK-UNK-702fb7d3-10
0.248
MAK-UNK-702fb7d3-4
0.248
SCO-CSI-e30c12ee-1
0.248
MAR-TRE-c8530538-100
0.248
MAR-TRE-c8530538-64
0.248
BEN-DND-031a96cc-1
0.248
SAD-SAT-29425be4-27
0.248
DAR-DIA-fc970077-7
0.247
BEN-DND-61647d40-8
0.247
SAN-PRS-52b81272-2
0.247
MAK-UNK-702fb7d3-9
0.246
MAR-TRE-c8530538-92
0.245
NIR-THE-c331be7a-6
0.245
ANT-DIA-b7f58f21-1
0.244
MAR-TRE-fd17a9b8-92
0.243
MAR-TRE-b77b7921-46
0.243
SAD-SAT-689b7d5a-2
0.243
ERI-UCB-ce40166b-24
0.243
JUL-TUD-06b2044f-78
0.243
MAK-UNK-10799360-25
0.243
SAD-SAT-1f400d17-9
0.243
JAR-IMP-ed466bb3-7
0.243
MAK-UNK-9e4a73aa-5
0.242
DRA-CSI-47e38074-11
0.242
ANT-DIA-3c79be55-2
0.242