Molecular Properties | |
SMILES: | CC(CNc1cncc(CCNC(=O)Nc2ccccc2)c1)Nc1ccccc1 |
MW: | 389.503 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 9 |
TPSA: | 78.08 |
cLogP: | 4.3583 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
WES-WAB-6f418dc2-1
0.542
AAR-UNI-c25c2f1e-100
0.388
SAD-SAT-689b7d5a-4
0.352
SID-ELM-2583a2cd-6
0.350
AAR-UNI-c25c2f1e-46
0.341
NIM-UNI-6eebfcd4-2
0.340
AAR-UNI-c25c2f1e-30
0.330
AAR-UNI-c25c2f1e-16
0.330
SID-ELM-2583a2cd-7
0.325
MAK-UNK-30aad1f1-3
0.323
AAR-UNI-c25c2f1e-78
0.322
MAK-UNK-d1e89583-8
0.322
AAR-UNI-c25c2f1e-51
0.322
SID-ELM-2583a2cd-5
0.321
AAR-UNI-c25c2f1e-45
0.319
AAR-UNI-c25c2f1e-79
0.318
AAR-UNI-c25c2f1e-62
0.314
SAD-SAT-135344c3-10
0.312
MAX-MCD-16e3709a-1
0.307
NIM-UNI-6eebfcd4-1
0.306
AAR-UNI-c25c2f1e-97
0.304
AAR-UNI-c25c2f1e-31
0.304
AAR-UNI-c25c2f1e-33
0.304
AAR-POS-d2a4d1df-11
0.304
TRY-UNI-714a760b-8
0.302
AAR-UNI-c25c2f1e-82
0.293
AAR-UNI-c25c2f1e-67
0.292
WIL-UNI-5578df48-10
0.292
SID-ELM-b654bfa2-2
0.292
MAK-UNK-129dcd6f-6
0.292
LEI-UNA-45e2e23e-1
0.291
DAR-DIA-03336633-11
0.288
PET-SGC-0f1d26ed-1
0.287
MAK-UNK-129dcd6f-7
0.286
MAR-TRE-9d18ae8c-52
0.286
PET-SGC-0f1d26ed-2
0.283
JAN-LUN-3e0f9c09-4
0.281
JAN-LUN-8953ce76-7
0.281
JAN-LUN-8953ce76-1
0.281
AAR-UNI-c25c2f1e-64
0.280
SID-ELM-b654bfa2-6
0.280
ALE-HEI-f28a35b5-1
0.279
TRY-UNI-714a760b-4
0.279
JAN-LUN-3e0f9c09-1
0.278
JAN-LUN-8953ce76-6
0.278
JAN-LUN-8953ce76-4
0.278
JAN-LUN-3e0f9c09-2
0.278
SID-ELM-8b394441-6
0.278
AAR-UNI-c25c2f1e-52
0.277
ALE-HEI-f28a35b5-15
0.277
MAK-UNK-37f1d6fa-3
0.277
ANT-DIA-b7f58f21-4
0.276
HAN-NEW-5f56c3bc-1
0.276
MAK-UNK-30aad1f1-16
0.276
SID-ELM-b654bfa2-3
0.275
AAR-UNI-c25c2f1e-71
0.274
MAR-TRE-4f781e27-49
0.273
SID-ELM-8b394441-7
0.272
HAN-NEW-5f56c3bc-3
0.271
DAR-DIA-03336633-1
0.271
MED-COV-dea4df70-1
0.271
SAD-SAT-6b5a89f0-8
0.270
MAK-UNK-129dcd6f-16
0.270
MAR-TRE-e86a56b5-66
0.270
WAR-XCH-79d12f6e-1
0.270
WAR-XCH-b0339bbe-12
0.270
SID-ELM-8b394441-5
0.270
WIL-UNI-5578df48-11
0.269
SID-ELM-2583a2cd-14
0.269
SID-ELM-2583a2cd-22
0.269
WIL-UNI-5578df48-12
0.269
AAR-UNI-c25c2f1e-40
0.269
MAK-UNK-129dcd6f-1
0.267
SID-ELM-b654bfa2-1
0.267
SID-ELM-b654bfa2-19
0.266
AAR-UNI-c25c2f1e-65
0.266
MAK-UNK-009ebe36-8
0.265
MAT-POS-2492181e-4
0.264
LON-WEI-4d77710c-17
0.264
LON-WEI-5e7d1b3e-17
0.264
WIL-UNI-5578df48-14
0.263
SID-ELM-b654bfa2-5
0.263
SID-ELM-8b394441-11
0.263
MAK-UNK-129dcd6f-8
0.263
GIA-UNK-3f36037a-7
0.263
DAR-DIA-03336633-2
0.262
SID-ELM-8b394441-12
0.260
AAR-UNI-c25c2f1e-39
0.260
LIL-FNM-e1865f24-1
0.258
MAK-UNK-de8f6d00-7
0.256
IAN-BAS-daf5a467-1
0.256
AHN-SAT-de2502ba-7
0.256
BEN-DND-031a96cc-8
0.256
SID-ELM-2583a2cd-8
0.255
SID-ELM-2583a2cd-10
0.255
SID-ELM-2583a2cd-17
0.255
SID-ELM-2583a2cd-11
0.255
CHA-MCP-85291e1d-1
0.255
BAR-COM-4e090d3a-11
0.255
NIC-UNI-0cb6411b-1
0.255