Molecular Properties | |
SMILES: | O=C1Nc2cnccc2C1N1CCN(C(=O)Nc2ccccc2)CC1 |
MW: | 337.15 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 77.57 |
cLogP: | 1.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-44
0.429
ANU-UNK-2781581f-2
0.425
SAD-SAT-2fd372d1-8
0.411
AHN-SAT-de2502ba-7
0.405
ANU-UNK-2781581f-1
0.404
RED-SAT-26a928c9-1
0.404
AAR-POS-0daf6b7e-32
0.387
JAG-SYN-9c2cd0bd-6
0.345
ALE-HEI-f28a35b5-16
0.342
SAD-SAT-2fd372d1-7
0.341
JOH-IMS-62aeb97d-4
0.325
JAR-IMP-ed466bb3-9
0.316
SID-ELM-2583a2cd-22
0.310
WIL-UNI-5578df48-8
0.302
BEN-DND-031a96cc-3
0.295
DAR-DIA-03336633-11
0.287
AAR-POS-d2a4d1df-11
0.286
JOH-IMS-62aeb97d-3
0.286
WIL-UNI-5578df48-12
0.281
BEN-DND-031a96cc-1
0.280
DRA-CSI-47e38074-6
0.280
SIM-SYN-a98e6a07-1
0.279
BEN-DND-031a96cc-2
0.278
TRY-UNI-714a760b-4
0.277
DAR-DIA-fc970077-9
0.277
ALE-HEI-f28a35b5-1
0.277
WIL-UNI-5578df48-6
0.277
SIM-SYN-a98e6a07-2
0.277
GIA-UNK-3f36037a-7
0.276
MAK-UNK-129dcd6f-6
0.276
ALE-HEI-f28a35b5-17
0.274
SCO-VAN-260d9628-1
0.274
MAK-UNK-bdda130a-4
0.273
RED-RED-10c9212c-5
0.272
JAG-SYN-9c2cd0bd-3
0.271
WIL-UNI-5578df48-7
0.270
BEN-DND-031a96cc-8
0.268
ASH-UNK-40b46b30-12
0.267
BEN-DND-031a96cc-7
0.265
JAG-SYN-9c2cd0bd-7
0.264
MAK-UNK-129dcd6f-15
0.263
MAR-TRE-799db12b-14
0.263
MAK-UNK-bdda130a-2
0.262
GIA-UNK-3f36037a-2
0.262
SWA-SYN-59528602-3
0.262
DAR-DIA-03336633-15
0.261
WIL-UNI-5578df48-10
0.261
MAK-UNK-de8f6d00-8
0.261
EDJ-MED-3c65e9ce-3
0.260
MAK-UNK-129dcd6f-8
0.260
BEN-DND-031a96cc-6
0.260
JAG-SYN-9c2cd0bd-4
0.259
JAG-SYN-9c2cd0bd-14
0.259
WIL-LEE-23e8b574-6
0.256
TRY-UNI-714a760b-8
0.256
LON-WEI-120e5cf5-15
0.256
MAR-TRE-4f781e27-49
0.256
MAR-TRE-6a44bbf2-86
0.256
DRA-CSI-47e38074-9
0.255
MAK-UNK-bdda130a-1
0.255
MAK-UNK-de8f6d00-7
0.254
DAR-DIA-fc970077-14
0.253
WIL-UNI-5578df48-11
0.253
MAR-TRE-3e4e6814-93
0.253
SID-ELM-2583a2cd-10
0.253
SID-ELM-2583a2cd-14
0.253
ASH-UNK-40b46b30-9
0.253
SID-ELM-1f105489-17
0.253
MAK-UNK-129dcd6f-1
0.253
LUI-IND-a1be81af-2
0.253
MAR-TRE-3e4e6814-47
0.253
WAR-XCH-b0339bbe-9
0.252
JAG-SYN-9c2cd0bd-8
0.250
MAK-UNK-de8f6d00-6
0.250
MAR-TRE-2fd8122f-27
0.250
MAK-UNK-30aad1f1-15
0.250
SIM-SYN-a98e6a07-4
0.248
DAR-DIA-03336633-2
0.248
JOH-UNI-522b0723-7
0.248
DAR-DIA-03336633-8
0.248
MAR-TRE-74c6519b-51
0.247
SID-ELM-b654bfa2-5
0.247
MAR-UCB-f313ec4d-6
0.247
WIL-UNI-5578df48-5
0.247
WIL-LEE-23e8b574-8
0.247
SID-ELM-8b394441-11
0.247
DAR-DIA-03336633-1
0.245
HAN-NEW-5f56c3bc-3
0.245
DAR-DIA-03336633-10
0.245
MAR-TRE-2fd8122f-77
0.245
MAK-UNK-129dcd6f-7
0.245
MAR-TRE-4b834d9a-49
0.245
MAR-TRE-8190bb11-90
0.245
SID-ELM-8b394441-10
0.245
SID-ELM-b654bfa2-17
0.245
SID-ELM-8b394441-12
0.245
MAR-TRE-2fd8122f-81
0.244
JAG-SYN-9c2cd0bd-9
0.244
HAN-NEW-5f56c3bc-1
0.244
WIL-UNI-5578df48-2
0.244