Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 |
MW: | 376.19 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 78.09 |
cLogP: | 3.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-04c86cea-46
0.430
MAR-TRE-04c86cea-35
0.417
RED-RED-10c9212c-33
0.411
MAR-TRE-2fd8122f-13
0.410
MAT-POS-ea426761-94
0.396
MAR-TRE-74c6519b-79
0.396
MAR-TRE-04c86cea-17
0.394
MAR-TRE-2fd8122f-8
0.393
MAR-TRE-f6f5f473-23
0.390
MAR-TRE-d0525fbf-54
0.387
MAR-TRE-04c86cea-49
0.387
LON-WEI-120e5cf5-11
0.381
MAR-TRE-b77b7921-67
0.374
MAR-TRE-2fd8122f-27
0.374
MAR-TRE-3159af1a-70
0.372
MAR-TRE-d0525fbf-90
0.360
FEL-WAB-fb168420-3
0.354
MAR-TRE-04c86cea-51
0.351
SAN-PRS-3c4a6997-2
0.351
PAU-UNI-b33c5197-1
0.350
RED-RED-10c9212c-42
0.349
MAR-TRE-3e4e6814-54
0.349
FEL-WAB-fb168420-2
0.342
MAR-TRE-74c6519b-68
0.340
MAR-TRE-2fd8122f-19
0.339
KEI-TRE-d5e2018a-38
0.339
KEI-TRE-d5e2018a-73
0.330
CUN-WAB-25b584ee-2
0.330
MAR-TRE-2fd8122f-29
0.327
MAR-TRE-2fd8122f-16
0.325
MAR-TRE-2fd8122f-30
0.324
MAR-TRE-2fd8122f-74
0.322
MAR-TRE-2fd8122f-64
0.321
MAR-TRE-9c797165-80
0.320
MAR-TRE-fd17a9b8-39
0.319
MAR-TRE-4b834d9a-82
0.319
MAR-TRE-3e4e6814-100
0.318
MAR-TRE-2fd8122f-18
0.317
NAU-LAT-64f4b287-10
0.317
AAR-UNI-c25c2f1e-72
0.316
MAR-TRE-7f7bb9f0-18
0.315
KEI-TRE-d5e2018a-15
0.315
MAR-TRE-2fd8122f-33
0.314
MAK-UNK-5d2caa6f-1
0.311
MAR-TRE-2fd8122f-80
0.310
MAR-TRE-d0525fbf-14
0.310
KEI-TRE-d5e2018a-79
0.310
MAR-TRE-85681e92-53
0.309
BEN-DND-031a96cc-2
0.309
MAK-UNK-37f1d6fa-7
0.309
WIL-UNI-5578df48-17
0.308
MAR-TRE-04c86cea-40
0.308
MAR-TRE-fd17a9b8-10
0.307
JOH-IMS-62aeb97d-3
0.306
JOH-IMS-62aeb97d-1
0.306
DAV-CRI-1c77f7a9-6
0.305
MAR-TRE-f5c2d31c-47
0.305
MAR-TRE-b77b7921-53
0.303
KEI-TRE-d5e2018a-77
0.303
JOH-MSK-a63bdd1d-10
0.301
MAR-TRE-04c86cea-31
0.301
MAR-TRE-4b834d9a-27
0.301
MAR-TRE-4b834d9a-42
0.301
MAR-TRE-2fd8122f-10
0.301
KEI-TRE-d5e2018a-23
0.301
MAT-POS-162a9720-8
0.300
BEN-DND-031a96cc-3
0.300
MAK-UNK-37f1d6fa-1
0.299
ASH-UNK-40b46b30-9
0.299
MAK-UNK-a7b37c5e-5
0.299
JOH-IMS-62aeb97d-4
0.299
MAR-TRE-2fd8122f-59
0.298
BEN-DND-031a96cc-1
0.298
AAR-UNI-c25c2f1e-26
0.298
MAR-TRE-2fd8122f-42
0.297
MAR-TRE-fd17a9b8-35
0.297
THO-SYG-f9b2970d-2
0.297
MAR-TRE-04c86cea-87
0.297
MAR-TRE-85681e92-33
0.296
ALE-HEI-f28a35b5-8
0.296
MAR-TRE-74c6519b-66
0.295
MAR-TRE-3159af1a-16
0.295
SAN-PRS-52b81272-2
0.295
MAR-TRE-2fd8122f-81
0.294
MAK-UNK-10572812-7
0.294
MAK-UNK-37f1d6fa-6
0.294
MAR-TRE-2fd8122f-72
0.294
MAR-TRE-74c6519b-51
0.294
KEI-TRE-d5e2018a-90
0.293
FRA-FAC-9ed5a63a-1
0.293
MAR-UCB-195bc32d-22
0.293
ALE-HEI-f28a35b5-9
0.293
AAR-POS-d2a4d1df-13
0.293
NIM-UNI-310206f0-31
0.291
MAR-UCB-195bc32d-9
0.291
MAR-TRE-85681e92-68
0.291
MAR-TRE-74c6519b-42
0.291
WAR-XCH-e55cba98-10
0.291
CHR-SOS-54d5cf3e-3
0.291
MAK-UNK-de8f6d00-3
0.290