Molecular Properties | |
SMILES: | O=C1CN(c2cccnc2)CCN1c1ccccc1 |
MW: | 253.305 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 1.9348 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
DAR-DIA-fc970077-11
0.574
DAR-DIA-fc970077-1
0.536
DAR-DIA-fc970077-6
0.459
DAR-DIA-fc970077-10
0.459
DAR-DIA-fc970077-4
0.433
DAR-DIA-fc970077-2
0.382
DAR-DIA-fc970077-3
0.377
DAR-DIA-fc970077-7
0.366
DAR-DIA-fc970077-8
0.366
DAR-DIA-fc970077-12
0.352
SIM-SYN-a98e6a07-5
0.350
RAI-NOV-c18e0037-7
0.348
SIM-SYN-a98e6a07-6
0.337
RAI-NOV-c18e0037-4
0.329
RAI-NOV-c18e0037-6
0.317
SAN-PRI-c9355cc8-2
0.310
NIM-UNI-0ea3b7bf-4
0.305
KEN-MCD-4729dc98-1
0.304
PET-UNK-4dc48bbe-2
0.303
MAR-TRE-9c797165-66
0.296
NIM-UNI-36e12f95-2
0.295
ERI-UCB-ce40166b-24
0.295
MAK-UNK-9e4a73aa-11
0.295
NIM-UNI-7f77122c-1
0.293
MAK-UNK-9e4a73aa-21
0.293
MAK-UNK-9e4a73aa-10
0.291
BEN-DND-031a96cc-3
0.289
MAK-UNK-9e4a73aa-20
0.289
RAI-NOV-c18e0037-1
0.287
RAI-NOV-c18e0037-2
0.284
MAK-UNK-9e4a73aa-25
0.284
MAK-UNK-9e4a73aa-23
0.284
MAK-UNK-9e4a73aa-24
0.284
MAK-UNK-9e4a73aa-26
0.284
MAK-UNK-9e4a73aa-22
0.284
MAK-UNK-9e4a73aa-27
0.284
EMI-TUK-b780fc43-1
0.282
EMI-TUK-6c6b371f-1
0.282
MAK-UNK-9e4a73aa-12
0.280
NIM-UNI-36e12f95-1
0.278
MAR-TRE-74c6519b-18
0.278
MAR-TRE-74c6519b-26
0.278
MAK-UNK-9e4a73aa-7
0.277
MAK-UNK-9e4a73aa-8
0.277
SEL-UNI-8426c22c-4
0.275
ZAC-MCD-b48cf8fd-1
0.275
MAR-TRE-9c797165-7
0.270
ERI-UCB-ce40166b-22
0.269
UNK-UNK-2ede4078-12
0.268
MAK-UNK-9e4a73aa-35
0.267
MAR-TRE-74c6519b-51
0.265
JAN-GHE-d851b096-5
0.265
MAK-UNK-9e4a73aa-36
0.264
MAR-TRE-04c86cea-13
0.264
PET-UNK-4dc48bbe-9
0.263
KEI-TRE-d5e2018a-15
0.262
MAR-TRE-7f7bb9f0-18
0.262
MAR-TRE-4b834d9a-49
0.262
SAN-PRS-52b81272-3
0.261
NIM-UNI-0ea3b7bf-5
0.260
AAR-POS-d2a4d1df-11
0.258
PET-UNK-4dc48bbe-5
0.256
PET-UNK-4dc48bbe-3
0.256
MAR-TRE-2fd8122f-39
0.256
BEN-DND-031a96cc-2
0.256
MAK-UNK-9e4a73aa-9
0.253
MAK-UNK-9e4a73aa-3
0.253
RAI-NOV-c18e0037-5
0.253
AUS-ARG-7cfdce8f-15
0.253
MIC-UNK-df342a3f-1
0.250
MAR-UCB-f313ec4d-6
0.250
PET-UNK-4dc48bbe-7
0.250
MIH-UNI-3396182e-8
0.247
PET-UNK-7a31b064-5
0.247
WIL-UNI-5578df48-2
0.246
KEI-TRE-d5e2018a-97
0.244
MIH-UNI-3396182e-7
0.244
BEN-DND-031a96cc-1
0.244
ASH-UNK-40b46b30-9
0.241
PET-UNK-4dc48bbe-1
0.241
DAR-DIA-53551c05-5
0.240
ERI-UCB-d6de1f3c-2
0.239
SAD-SAT-7d5528d9-43
0.239
MAR-TRE-f5c2d31c-79
0.239
MAK-UNK-9e4a73aa-2
0.239
MAR-TRE-2fd8122f-90
0.238
MAR-TRE-04c86cea-50
0.238
CHR-SOS-70e4c98a-8
0.237
MAK-UNK-9e4a73aa-18
0.237
DRA-CSI-47e38074-11
0.237
JAR-KUA-8c13982c-7
0.237
MAK-UNK-9e4a73aa-17
0.236
NIM-UNI-534877e5-1
0.235
NIM-UNI-0ea3b7bf-1
0.235
LON-WEI-b2874fec-25
0.233
MAR-TRE-f6f5f473-31
0.233
MIC-UNK-b9827f26-2
0.233
WIL-UNI-5578df48-6
0.233
MAK-UNK-9e4a73aa-14
0.233
CHR-SOS-70e4c98a-3
0.232