Molecular Properties | |
SMILES: | CC(=O)NC(C(=O)N1CCCC1C(=O)Nc1cccnc1)c1ccccc1 |
MW: | 366.17 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 91.4 |
cLogP: | 1.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3665224276 |
KEI-TRE-d5e2018a-79
0.406
MAR-TRE-d0525fbf-14
0.406
MAR-TRE-04c86cea-46
0.398
MAR-TRE-9c797165-84
0.391
MAR-TRE-2fd8122f-90
0.380
MAR-TRE-74c6519b-51
0.376
MAR-TRE-2fd8122f-29
0.371
KEI-TRE-d5e2018a-38
0.370
MAR-TRE-9c797165-80
0.368
MAR-TRE-74c6519b-24
0.367
MAR-TRE-d0525fbf-90
0.367
NAU-LAT-64f4b287-10
0.363
MAR-TRE-2fd8122f-13
0.362
AUS-ARG-7cfdce8f-11
0.361
MAR-TRE-f6f5f473-23
0.357
MAR-TRE-04c86cea-49
0.354
MAR-TRE-2fd8122f-6
0.354
JOH-IMS-62aeb97d-3
0.353
BEN-DND-031a96cc-2
0.351
THO-SYG-f9b2970d-5
0.349
BAR-COM-4e090d3a-59
0.349
MAR-TRE-04c86cea-17
0.347
KEI-TRE-d5e2018a-73
0.347
JOH-IMS-62aeb97d-4
0.345
LON-WEI-120e5cf5-11
0.344
MAR-TRE-04c86cea-35
0.343
MAR-TRE-2fd8122f-19
0.343
ADA-UNI-f8e79267-5
0.341
ASH-UNK-40b46b30-9
0.340
MAR-TRE-3e4e6814-96
0.340
MAR-TRE-04c86cea-31
0.340
MAR-TRE-2fd8122f-10
0.340
MAR-TRE-4b834d9a-42
0.340
MAR-TRE-3e4e6814-54
0.340
JOH-IMS-62aeb97d-5
0.338
JOH-IMS-62aeb97d-1
0.337
MAR-TRE-f6f5f473-78
0.337
MED-UNK-e6e8ef8a-4
0.337
MAR-TRE-2fd8122f-79
0.337
MAR-TRE-f6f5f473-84
0.337
ADA-UNI-f8e79267-2
0.337
ADA-UNI-f8e79267-4
0.333
BEN-DND-362d364a-12
0.333
PET-SGC-d0156db4-1
0.333
MED-UNK-e6e8ef8a-5
0.333
DRE-WAB-ae4a693c-1
0.333
MED-UNK-e6e8ef8a-1
0.333
ADA-UNI-f8e79267-1
0.333
PET-SGC-b0f8bd49-1
0.333
MAR-TRE-2fd8122f-8
0.333
MAR-TRE-2fd8122f-27
0.333
MAR-TRE-d0525fbf-54
0.330
MAK-UNK-10799360-25
0.330
SAD-SAT-135344c3-5
0.330
KEI-TRE-d5e2018a-15
0.330
MAR-TRE-7f7bb9f0-18
0.330
MAR-TRE-67513f76-20
0.330
CHR-SOS-f7373dd1-4
0.330
MAR-TRE-9c797165-46
0.330
MAK-UNK-a7b37c5e-2
0.330
ALE-HEI-f28a35b5-16
0.329
WIL-UNI-5578df48-2
0.329
MAR-TRE-2fd8122f-33
0.327
MAR-TRE-9c797165-57
0.327
MAK-UNK-5d2caa6f-1
0.326
SAD-SAT-689b7d5a-4
0.326
SAN-PRS-52b81272-3
0.325
AAR-POS-d2a4d1df-11
0.325
MAK-UNK-ca11b4f7-3
0.325
MAR-TRE-f6f5f473-6
0.325
SER-UNI-400afb01-4
0.324
MAR-TRE-2fd8122f-50
0.323
MAR-TRE-2fd8122f-38
0.323
TAM-UNI-c140e31a-10
0.323
CHR-SOS-f7373dd1-1
0.323
MAR-TRE-9c797165-52
0.323
MAR-TRE-2fd8122f-81
0.322
SAD-SAT-689b7d5a-9
0.322
FRA-FAC-9ed5a63a-1
0.322
AAR-POS-d2a4d1df-13
0.322
ALE-HEI-f28a35b5-9
0.322
PET-UNK-ac320b15-3
0.321
PET-UNK-ac320b15-4
0.321
SAD-SAT-135344c3-4
0.320
JAG-UCB-a3ef7265-7
0.319
FRA-FAC-9ed5a63a-4
0.319
MAR-TRE-74c6519b-66
0.318
MED-UNK-e6e8ef8a-7
0.318
THO-SYG-f9b2970d-1
0.317
MAR-TRE-3e4e6814-28
0.316
MAR-TRE-2fd8122f-44
0.316
MAR-TRE-67513f76-92
0.316
MAR-TRE-67513f76-73
0.315
MED-UNK-e6e8ef8a-3
0.315
MAR-TRE-f6f5f473-31
0.314
LON-WEI-b2874fec-25
0.314
ALE-HEI-f28a35b5-14
0.313
SAD-SAT-135344c3-2
0.313
MAR-TRE-2fd8122f-28
0.313
BEN-DND-031a96cc-3
0.313