Molecular Properties | |
SMILES: | O=C(CNC(=O)Nc1ccccc1)NCc1ccc(Cn2cccn2)cc1 |
MW: | 363.17 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 88.05 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-UNI-c25c2f1e-51
0.388
AAR-UNI-c25c2f1e-70
0.330
AAR-UNI-c25c2f1e-46
0.325
AAR-UNI-c25c2f1e-78
0.322
AAR-UNI-c25c2f1e-82
0.322
AAR-UNI-c25c2f1e-45
0.318
AAR-UNI-c25c2f1e-16
0.314
AAR-UNI-c25c2f1e-40
0.310
MAR-TRE-8190bb11-81
0.303
MAK-UNK-009ebe36-8
0.302
AAR-UNI-c25c2f1e-8
0.302
SID-ELM-8b394441-9
0.300
AAR-UNI-c25c2f1e-30
0.299
AAR-UNI-c25c2f1e-63
0.298
MAR-TRE-e86a56b5-66
0.298
MAR-TRE-14ce9fd6-61
0.295
MAR-TRE-6a44bbf2-70
0.294
TAT-ENA-80bfd3e5-23
0.293
SID-ELM-2583a2cd-20
0.292
AAR-UNI-c25c2f1e-65
0.292
WES-WAB-6f418dc2-1
0.292
AAR-UNI-c25c2f1e-17
0.292
AAR-UNI-c25c2f1e-31
0.289
SID-ELM-8b394441-11
0.289
GIA-UNK-3f36037a-4
0.287
AAR-UNI-c25c2f1e-79
0.287
AAR-UNI-c25c2f1e-71
0.286
TRY-UNI-1fd04853-7
0.286
SAD-SAT-6b5a89f0-8
0.286
AAR-POS-d2a4d1df-11
0.286
NAU-LAT-64f4b287-9
0.284
GIA-UNK-3f36037a-5
0.284
SID-ELM-8b394441-5
0.282
LON-WEI-1908424e-1
0.281
AAR-UNI-c25c2f1e-100
0.281
SID-ELM-8b394441-1
0.280
SID-ELM-8b394441-3
0.280
AAR-UNI-c25c2f1e-102
0.280
WES-WAB-2b40d25a-1
0.280
NIC-UNI-0cb6411b-1
0.277
MAR-TRE-799db12b-52
0.277
AAR-UNI-c25c2f1e-9
0.277
GIA-UNK-3f36037a-7
0.276
DAR-DIA-23aa0b97-20
0.276
AAR-UNI-c25c2f1e-21
0.276
ALP-POS-e980f4ea-16
0.275
SID-ELM-b654bfa2-5
0.275
ALP-POS-ced8ea4d-16
0.273
AAR-UNI-c25c2f1e-104
0.273
SID-ELM-8b394441-12
0.272
SID-ELM-b654bfa2-4
0.272
SID-ELM-2583a2cd-5
0.272
MAR-TRE-9d18ae8c-52
0.271
MAR-TRE-4f781e27-49
0.271
BRU-THA-92256091-86
0.270
MAK-UNK-176ca439-5
0.270
MAK-UNK-72b7ba6b-1
0.270
MAX-MCD-16e3709a-1
0.270
MAR-TRE-799db12b-76
0.270
SAD-SAT-135344c3-2
0.268
MAK-UNK-30aad1f1-3
0.268
MAR-TRE-3e4e6814-5
0.268
SAD-SAT-135344c3-9
0.267
SID-ELM-2583a2cd-14
0.267
WIL-UNI-5578df48-11
0.267
SID-ELM-2583a2cd-22
0.267
MAR-TRE-799db12b-84
0.267
MAK-UNK-10dfa458-15
0.265
MAR-TRE-b77b7921-54
0.265
MAR-TRE-e82e6c98-54
0.264
SID-ELM-b654bfa2-1
0.264
SID-ELM-b654bfa2-6
0.264
MAR-TRE-1c920f6f-42
0.264
WIL-UNI-5578df48-17
0.263
MAT-POS-ea426761-101
0.263
AAR-UNI-c25c2f1e-52
0.263
MAR-TRE-3159af1a-14
0.263
ALE-HEI-f28a35b5-1
0.262
TRY-UNI-714a760b-4
0.262
MAK-UNK-129dcd6f-6
0.261
SID-ELM-8b394441-14
0.261
SID-ELM-8b394441-15
0.261
AAR-POS-8a4e0f60-4
0.260
MAR-TRE-04c86cea-21
0.260
MAR-TRE-04c86cea-2
0.259
MAR-TRE-f6f5f473-21
0.259
HAN-NEW-5f56c3bc-1
0.259
SID-ELM-8b394441-10
0.258
MAR-TRE-b77b7921-82
0.257
WAR-XCH-b0339bbe-20
0.256
WAR-XCH-79d12f6e-10
0.256
LON-WEI-120e5cf5-15
0.256
MAR-TRE-6a44bbf2-86
0.256
LIL-FNM-e1865f24-1
0.256
SID-ELM-8b394441-8
0.255
MAR-TRE-66ac689e-20
0.255
BAR-COM-0f94fc3d-10
0.255
MAR-TRE-f6f5f473-66
0.255
MAK-UNK-f983951f-26
0.253
SID-ELM-2583a2cd-6
0.253