Molecular Properties | |
SMILES: | NC(=O)CCc1ccccc1-c1cc(N)nc(Nc2cccnc2)c1 |
MW: | 333.395 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.92 |
cLogP: | 2.8873 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
MIH-UNI-3396182e-3
0.458
MAK-UNK-d1e89583-8
0.315
MAK-UNK-a7b37c5e-2
0.289
MAR-TRE-74c6519b-58
0.286
JOH-IMS-62aeb97d-2
0.281
MAK-UNK-a7b37c5e-1
0.281
AAR-POS-d2a4d1df-11
0.280
JOR-UNI-2fc98d0b-2
0.280
BAR-COM-21d20d65-9
0.280
WIL-UNI-5578df48-28
0.278
WIL-UNI-5578df48-15
0.277
WIL-UNI-5578df48-26
0.276
JIA-UNI-12b1f9ae-1
0.274
MIH-UNI-3396182e-2
0.274
AUS-ARG-7cfdce8f-11
0.273
HUB-UNK-9845d277-3
0.273
MAR-TRE-2fd8122f-90
0.273
SAD-SAT-689b7d5a-1
0.271
MAK-UNK-30aad1f1-1
0.271
MAK-UNK-c749d764-13
0.271
WIL-UNI-5578df48-14
0.271
ALE-HEI-f28a35b5-14
0.271
ALE-HEI-f28a35b5-15
0.271
MAR-TRE-b77b7921-80
0.270
BAR-COM-5694a99d-4
0.270
MAR-TRE-9c797165-12
0.270
MAK-UNK-d1e89583-7
0.270
WAR-XCH-6eb0722e-5
0.269
MIH-UNI-3396182e-13
0.268
MAR-TRE-2fd8122f-99
0.268
IAN-BAS-df1706d7-1
0.268
ADA-UNI-f8e79267-4
0.268
SAN-PRS-52b81272-2
0.267
BAR-COM-5694a99d-2
0.267
WAR-XCH-6eb0722e-4
0.267
SAD-SAT-689b7d5a-3
0.266
MAR-TRE-67513f76-81
0.266
EMI-TUK-a58865cc-7
0.265
BAR-COM-5694a99d-1
0.265
BAR-COM-5694a99d-5
0.265
WAR-XCH-eb7b662f-3
0.264
WAR-XCH-6eb0722e-1
0.264
EDG-MED-0da5ad92-2
0.264
DAR-DIA-842b4336-13
0.264
JOR-UNI-61e7b1d5-8
0.264
MAR-TRE-3e4e6814-93
0.263
SAD-SAT-689b7d5a-6
0.263
MAK-UNK-ca11b4f7-3
0.263
MAR-TRE-2fd8122f-39
0.262
SAD-SAT-689b7d5a-4
0.260
SAD-SAT-689b7d5a-5
0.260
SAD-SAT-f25ee457-7
0.260
SAD-SAT-135344c3-3
0.260
KEI-TRE-d5e2018a-16
0.260
MAK-UNK-ca11b4f7-1
0.259
JOH-IMS-62aeb97d-5
0.259
JOR-UNI-2fc98d0b-11
0.259
ALE-HEI-f28a35b5-16
0.258
JOR-UNI-2fc98d0b-7
0.258
WAR-XCH-eb7b662f-7
0.258
DAR-DIA-23aa0b97-14
0.258
SWA-SYN-59528602-3
0.258
JAN-GHE-83b26c96-19
0.258
MAK-UNK-ae34c249-1
0.258
MAK-UNK-c749d764-14
0.258
CHR-SOS-7098f804-14
0.258
ADA-UNI-f8e79267-1
0.257
MAK-UNK-129dcd6f-5
0.257
KEI-TRE-d5e2018a-62
0.257
MAK-UNK-d1e89583-4
0.256
ISA-SCH-8e98219b-4
0.256
IND-SYN-8bc6954a-3
0.255
MAR-TRE-2fd8122f-79
0.255
IND-SYN-35527f5a-1
0.255
SWA-SYN-59528602-1
0.255
MAR-TRE-74c6519b-55
0.255
KEI-TRE-d5e2018a-81
0.255
MAR-TRE-67513f76-13
0.255
MAR-TRE-3e4e6814-28
0.255
MAR-TRE-74c6519b-42
0.255
KEI-TRE-d5e2018a-19
0.255
BAR-COM-5694a99d-3
0.255
MAR-TRE-2fd8122f-76
0.255
BAR-COM-21d20d65-8
0.255
MAR-TRE-4b834d9a-77
0.255
ERI-UCB-ce40166b-23
0.255
TAM-UNI-c140e31a-22
0.254
SAN-PRS-52b81272-3
0.253
DAR-DIA-23aa0b97-16
0.253
ALE-HEI-f28a35b5-4
0.253
MAK-UNK-c749d764-17
0.253
MAK-UNK-d1e89583-3
0.253
MAR-TRE-74c6519b-54
0.253
CHA-MCP-85291e1d-4
0.253
CHR-SOS-7098f804-13
0.253
MAR-TRE-9c797165-94
0.253
MAK-UNK-30aad1f1-14
0.252
KEI-TRE-d5e2018a-43
0.252
MAR-TRE-9c797165-14
0.252
MAR-TRE-9c797165-57
0.252