Molecular Properties | |
SMILES: | O=C(CNC(=O)NCCc1nc2ccccc2[nH]1)Nc1ccccc1 |
MW: | 337.15 |
Fraction sp3: | 0.17 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 98.91 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-ebcc4ad6-45
0.457
AAR-UNI-c25c2f1e-39
0.414
AAR-UNI-c25c2f1e-58
0.393
AAR-UNI-c25c2f1e-41
0.378
GAB-REV-70cc3ca5-9
0.371
MAR-TRE-4f781e27-49
0.362
MAR-TRE-aca67d11-41
0.360
AAR-UNI-c25c2f1e-40
0.353
RED-RED-10c9212c-19
0.351
MAR-TRE-36bf7dba-66
0.348
MAR-TRE-1c920f6f-65
0.337
AAR-POS-0daf6b7e-39
0.333
GIA-UNK-3f36037a-4
0.333
AAR-UNI-c25c2f1e-44
0.327
GAB-REV-4a4e2ff3-3
0.324
MAK-UNK-3ae66343-1
0.321
AAR-UNI-c25c2f1e-83
0.320
SAD-SAT-6b5a89f0-8
0.319
SAD-SAT-f0a2747f-6
0.318
AAR-UNI-c25c2f1e-71
0.311
MAR-TRE-be9ff7d2-37
0.309
AAR-UNI-c25c2f1e-57
0.307
ALP-UNI-ed5cdfd2-7
0.302
AAR-UNI-c25c2f1e-45
0.300
MAR-TRE-d3c2bf0e-16
0.298
CUN-WAB-25b584ee-2
0.294
MAR-TRE-c8530538-97
0.291
MAR-TRE-14ce9fd6-61
0.291
GIA-UNK-3f36037a-7
0.289
DAR-DIA-03336633-15
0.287
AAR-UNI-c25c2f1e-33
0.286
COM-UCB-8c7d23dc-2
0.284
MAR-TRE-87acfbcc-73
0.284
WIL-LEE-23e8b574-6
0.284
MAR-TRE-14ce9fd6-30
0.282
DAR-DIA-03336633-2
0.282
MAR-TRE-8a25d817-28
0.281
WES-WAB-2b40d25a-1
0.277
WES-WAB-6f418dc2-1
0.276
MAR-TRE-1c920f6f-61
0.276
MAR-TRE-423310b6-61
0.275
DAR-DIA-23aa0b97-20
0.273
COM-UCB-1ef4e90e-3
0.272
SWA-SYN-40d44a84-1
0.272
AAR-POS-0daf6b7e-25
0.271
RED-RED-10c9212c-55
0.269
MAR-TRE-74c6519b-68
0.268
LIL-FNM-e1865f24-1
0.267
AAR-UNI-c25c2f1e-16
0.267
WIL-UNI-d4749f31-37
0.265
AAR-UNI-c25c2f1e-64
0.263
MAR-TRE-1c920f6f-42
0.261
MAR-TRE-04c86cea-51
0.260
MAR-TRE-c8530538-50
0.260
MAK-UNK-3ae66343-2
0.259
AAR-UNI-c25c2f1e-51
0.258
MAR-TRE-7f7bb9f0-49
0.258
MAR-TRE-7f7bb9f0-68
0.258
MAR-TRE-9c797165-12
0.258
AAR-UNI-c25c2f1e-28
0.257
MAR-TRE-dab8f6ea-3
0.257
ALP-POS-a30bcdb4-1
0.257
MAR-TRE-67513f76-93
0.256
AAR-UNI-c25c2f1e-79
0.256
AAR-UNI-c25c2f1e-96
0.255
UNK-UNK-2ede4078-81
0.255
MAR-TRE-c8530538-80
0.255
SID-ELM-2583a2cd-5
0.253
CAS-DEP-751a2458-2
0.253
MAR-TRE-3e4e6814-62
0.253
MAR-TRE-4b834d9a-96
0.253
IAN-BAS-5394d4c4-1
0.252
SWA-SYN-40d44a84-4
0.250
AAR-POS-d2a4d1df-11
0.250
AAR-UNI-c25c2f1e-72
0.250
AAR-UNI-c25c2f1e-100
0.250
ALP-POS-bad7201a-14
0.250
MAK-UNK-c749d764-30
0.250
MAK-UNK-37f1d6fa-3
0.250
MAT-POS-bfb445d4-1
0.250
BEN-DND-02317c5c-12
0.250
BEN-DND-61647d40-12
0.250
MAT-POS-3b92565d-14
0.250
ALP-POS-a30bcdb4-2
0.248
MAK-UNK-37f1d6fa-2
0.248
SWA-SYN-40d44a84-3
0.248
MAR-TRE-67513f76-22
0.248
MAR-TRE-7f7bb9f0-97
0.247
AAR-UNI-c25c2f1e-78
0.247
AAR-UNI-c25c2f1e-46
0.247
BEN-DND-61647d40-14
0.245
WIL-UNI-5578df48-14
0.245
ALE-HEI-f28a35b5-1
0.244
GIA-UNK-3f36037a-2
0.244
TRY-UNI-714a760b-4
0.244
ALP-POS-ddb41b15-9
0.243
MAR-TRE-b77b7921-77
0.243
MAR-TRE-14ce9fd6-40
0.243
SID-ELM-b654bfa2-4
0.242
MAR-TRE-2fd8122f-99
0.242