Molecular Properties | |
SMILES: | CC(C)n1ncc2cc(NC(=O)CCc3c[nH]c4ccccc34)cnc21 |
MW: | 347.17 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.6 |
cLogP: | 4.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1415193142 |
MolPort: | MolPort-009-403-442 |
MAR-TRE-67513f76-78
0.459
MAR-TRE-4b834d9a-90
0.438
MAR-TRE-3e4e6814-89
0.398
SAN-PRS-3c4a6997-2
0.391
MAR-TRE-f6f5f473-6
0.374
FEL-WAB-fb168420-3
0.374
UNK-UNK-2ede4078-71
0.373
CUN-WAB-25b584ee-2
0.367
FEL-WAB-fb168420-2
0.362
MAR-TRE-fd17a9b8-35
0.353
MAR-TRE-fd17a9b8-10
0.349
RED-RED-10c9212c-33
0.343
MAR-TRE-85681e92-53
0.340
JOH-MSK-a63bdd1d-10
0.337
MAR-UCB-195bc32d-9
0.337
LON-WEI-5e7d1b3e-20
0.336
LON-WEI-4d77710c-20
0.336
MAR-TRE-85681e92-68
0.333
MAT-POS-ea426761-94
0.330
MAR-TRE-fd17a9b8-18
0.330
MAR-TRE-4f39ef4a-5
0.330
MAR-UCB-195bc32d-22
0.326
AAR-UNI-c25c2f1e-26
0.325
MAR-TRE-f5c2d31c-47
0.323
AAR-UNI-c25c2f1e-72
0.321
MAR-TRE-04c86cea-51
0.321
MAR-TRE-36bf7dba-26
0.319
RED-RED-10c9212c-42
0.318
MAR-TRE-85681e92-69
0.315
MAR-TRE-74c6519b-79
0.315
ALP-POS-a3de0cb1-15
0.315
MAR-TRE-85681e92-33
0.314
MAR-TRE-36bf7dba-27
0.310
MAR-TRE-4f781e27-6
0.308
MAR-TRE-4f39ef4a-9
0.308
AAR-UNI-c25c2f1e-73
0.306
CUN-WAB-25b584ee-1
0.302
ALP-POS-8ed8d9ec-2
0.301
MAR-TRE-4f781e27-69
0.299
AAR-UNI-c25c2f1e-29
0.299
SUN-WAB-e274cdaf-1
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MAR-TRE-36bf7dba-21
0.297
VLA-UCB-38f570bb-1
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NIC-BIO-3276ca7f-7
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ANT-OPE-ab37bd51-2
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NIC-BIO-3276ca7f-2
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MAR-TRE-2fd8122f-80
0.291
YIA-UNI-71f25a82-2
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MAR-UCB-195bc32d-18
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AAR-UNI-c25c2f1e-34
0.284
ALP-POS-8ed8d9ec-6
0.280
UNK-UNK-2ede4078-83
0.279
MAR-TRE-fd17a9b8-25
0.278
MAR-TRE-fd17a9b8-1
0.277
MAR-TRE-67513f76-67
0.277
MAR-TRE-67513f76-43
0.276
MAR-TRE-3e4e6814-31
0.275
MAR-TRE-3e4e6814-100
0.275
GAB-REV-df64cf17-18
0.275
ALP-POS-a3de0cb1-14
0.274
MAR-TRE-74c6519b-68
0.271
NJA-MAN-b9fb953f-5
0.270
MAR-TRE-f6f5f473-67
0.270
WIL-UNI-1faa9b10-29
0.270
SAL-INS-68b48d12-7
0.270
YIA-UNI-71f25a82-1
0.267
SAL-INS-68b48d12-9
0.266
MAT-POS-162a9720-8
0.265
MAK-UNK-37f1d6fa-2
0.263
MAR-TRE-f6f5f473-83
0.261
LIL-FNM-e1865f24-1
0.257
MAR-TRE-74c6519b-52
0.257
NAU-LAT-81109c57-1
0.257
SAL-INS-68b48d12-8
0.256
MAR-TRE-2fd8122f-93
0.254
MAR-TRE-4b834d9a-82
0.254
MAR-TRE-fd17a9b8-39
0.254
MAK-UNK-37f1d6fa-3
0.254
NIM-UNI-310206f0-49
0.254
SAL-INS-68b48d12-5
0.254
SAL-INS-68b48d12-6
0.254
JOH-MSK-a63bdd1d-4
0.253
MAR-UCB-195bc32d-16
0.253
ANT-OPE-ab37bd51-1
0.252
MAR-TRE-3e4e6814-50
0.252
IAN-BAS-8ad3d156-1
0.252
SAL-INS-68b48d12-10
0.250
MAR-TRE-4b834d9a-78
0.250
MAR-TRE-c317dd82-56
0.250
MAR-TRE-3e4e6814-39
0.250
AAR-POS-d2a4d1df-2
0.250
BRU-UNI-248b30bc-12
0.250
NAU-LAT-30527ac5-4
0.248
MAR-TRE-fd17a9b8-41
0.248
MAR-TRE-4f781e27-96
0.248
NAU-LAT-81109c57-8
0.248
JIN-POS-6dc588a4-5
0.248
MAR-TRE-7f7bb9f0-43
0.248
IAN-BAS-5394d4c4-1
0.246
MAR-TRE-92684b97-10
0.246