Molecular Properties | |
SMILES: | CC(=O)Nc1ncn(N(C(=O)Oc2ccccc2)c2cccnc2)n1 |
MW: | 338.327 |
Fraction sp3: | 0.06 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 102.24 |
cLogP: | 2.1002 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
carbamate include di-substitued N
Phenylester
AAR-POS-d2a4d1df-11
DAR-DIA-fc970077-9
0.346
SAN-PRS-52b81272-3
0.342
WIL-UNI-5578df48-5
0.322
MIC-SGC-657978c3-8
0.321
WIL-UNI-5578df48-6
0.312
WIL-UNI-5578df48-2
0.312
WIL-UNI-5578df48-4
0.310
IAN-BAS-5ff43d1c-1
0.305
CHR-SOS-70e4c98a-6
0.302
ASH-UNK-40b46b30-9
0.297
CHR-SOS-70e4c98a-8
0.295
MIC-SGC-657978c3-6
0.295
MIC-SGC-657978c3-7
0.292
SWA-SYN-59528602-2
0.291
WIL-UNI-5578df48-8
0.291
WIL-UNI-5578df48-34
0.290
CHR-SOS-70e4c98a-3
0.289
KEI-TRE-d5e2018a-81
0.289
CHR-SOS-1f323c23-10
0.289
EMI-TUK-a58865cc-3
0.289
WIL-UNI-5578df48-7
0.287
JAC-SHE-fc18d444-1
0.287
BEN-BAS-edf2ae6d-1
0.284
DAR-DIA-fc970077-14
0.284
CHR-SOS-70e4c98a-1
0.283
MIC-SGC-657978c3-5
0.283
MAK-UNK-f0bfc2e0-1
0.280
WIL-UNI-5578df48-1
0.276
AAR-POS-d2a4d1df-11
0.273
WIL-UNI-5578df48-36
0.270
WIL-UNI-5578df48-38
0.270
WIL-UNI-5578df48-3
0.270
CHR-SOS-1f323c23-7
0.269
EMI-TUK-a58865cc-6
0.269
NAU-LAT-3f5f3993-1
0.268
EMI-TUK-a58865cc-4
0.266
MAR-TRE-2fd8122f-90
0.266
CHR-SOS-1f323c23-4
0.266
EMI-TUK-a58865cc-2
0.266
SIM-SYN-a98e6a07-2
0.266
MED-UNK-cd1acb4a-1
0.265
IAN-BAS-a5a0ad12-1
0.265
WIL-UNI-5578df48-37
0.265
EMI-TUK-a58865cc-5
0.264
NAU-LAT-445f63e5-6
0.263
SAD-SAT-689b7d5a-9
0.261
ASH-UNK-40b46b30-3
0.261
CHR-SOS-1f323c23-1
0.260
BAR-COM-5694a99d-2
0.260
NJA-MAN-00c90aa2-43
0.260
EMI-TUK-a58865cc-7
0.258
NAU-LAT-3f5f3993-3
0.258
SIM-SYN-a98e6a07-1
0.257
CHR-SOS-f7373dd1-4
0.256
MAK-UNK-ca11b4f7-3
0.253
DAR-DIA-842b4336-2
0.253
SAD-SAT-689b7d5a-4
0.253
ANT-OPE-a517596a-1
0.253
CHR-SOS-363cfb78-3
0.253
MAK-UNK-009ebe36-8
0.253
JOR-UNI-2fc98d0b-5
0.252
WIL-UNI-5578df48-39
0.250
KEI-TRE-d5e2018a-64
0.250
EDJ-MED-3c65e9ce-3
0.250
MAR-TRE-2fd8122f-16
0.250
CHR-SOS-f7373dd1-1
0.250
EMI-TUK-a58865cc-1
0.250
EMI-TUK-b780fc43-2
0.250
AUS-ARG-7cfdce8f-11
0.250
JOR-UNI-2fc98d0b-14
0.248
ALP-POS-90c18d1d-1
0.248
MAR-TRE-4b834d9a-49
0.247
ADA-UNI-f8e79267-4
0.247
RUT-UNI-630c5802-6
0.245
MAT-POS-13203bf4-1
0.245
KEI-TRE-d5e2018a-92
0.245
MAR-TRE-2fd8122f-67
0.244
SAN-PRS-52b81272-2
0.244
ROB-UNI-f098ae62-1
0.243
KEI-TRE-d5e2018a-37
0.242
MAR-TRE-2fd8122f-91
0.242
MAR-TRE-4b834d9a-45
0.242
MAR-TRE-2fd8122f-49
0.242
KEI-TRE-d5e2018a-34
0.242
CHR-SOS-f7373dd1-6
0.242
KEI-TRE-d5e2018a-27
0.242
CHR-SOS-7098f804-18
0.242
MAR-TRE-7f7bb9f0-16
0.242
MAR-TRE-67513f76-73
0.242
AHN-SAT-202241f6-1
0.241
TRY-UNI-714a760b-17
0.241
NAU-LAT-64f4b287-9
0.241
BEN-DND-031a96cc-8
0.241
KEI-TRE-d5e2018a-38
0.240
JOR-UNI-2fc98d0b-11
0.240
MAR-TRE-67513f76-81
0.240
KEI-TRE-d5e2018a-16
0.240
MAR-TRE-7f7bb9f0-6
0.240
MIC-SGC-657978c3-4
0.240
BEN-BAS-d50bea19-1
0.240