Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)C1CCN(C(=O)C2OC2c2cccnc2)CC1 |
MW: | 351.406 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 74.83 |
cLogP: | 2.3988 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
activated_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Three_Membered_Heterocycle
JAG-SYN-9c2cd0bd-7
0.557
BEN-DND-031a96cc-2
0.557
BEN-DND-031a96cc-1
0.512
MAR-TRE-6a44bbf2-86
0.507
LON-WEI-120e5cf5-15
0.507
JAG-SYN-9c2cd0bd-4
0.493
LON-WEI-120e5cf5-11
0.487
JAG-SYN-9c2cd0bd-3
0.486
JAG-SYN-9c2cd0bd-8
0.473
JAG-SYN-9c2cd0bd-14
0.452
JAG-SYN-9c2cd0bd-9
0.432
MAR-TRE-3e4e6814-54
0.416
BEN-DND-031a96cc-4
0.412
MAR-TRE-d0525fbf-90
0.402
KEI-TRE-d5e2018a-38
0.402
BEN-DND-031a96cc-5
0.395
KEI-TRE-d5e2018a-73
0.376
MAR-TRE-2fd8122f-29
0.374
MAR-TRE-9c797165-80
0.370
BEN-DND-031a96cc-6
0.368
LON-WEI-120e5cf5-20
0.367
AAR-POS-d2a4d1df-11
0.361
MAR-TRE-2fd8122f-19
0.359
LON-WEI-120e5cf5-10
0.358
MAR-TRE-04c86cea-46
0.356
JOH-IMS-62aeb97d-3
0.354
JAG-SYN-9c2cd0bd-5
0.349
LON-WEI-120e5cf5-19
0.349
LON-WEI-120e5cf5-12
0.348
MAR-TRE-74c6519b-51
0.348
BEN-DND-031a96cc-7
0.347
MAK-UNK-10799360-25
0.344
MAR-TRE-74c6519b-66
0.343
MAR-TRE-2fd8122f-33
0.340
BEN-DND-031a96cc-8
0.338
AAR-POS-0daf6b7e-32
0.338
MED-UNK-e6e8ef8a-7
0.333
MAR-TRE-2fd8122f-27
0.333
MAR-TRE-2fd8122f-18
0.333
AAR-POS-f650c5f2-4
0.330
LON-WEI-120e5cf5-17
0.330
AAR-POS-5507155c-2
0.330
LON-WEI-120e5cf5-1
0.330
MAR-TRE-9c797165-46
0.329
DAR-DIA-fc970077-2
0.329
LON-WEI-120e5cf5-2
0.326
ASH-UNK-40b46b30-9
0.326
MAR-TRE-2fd8122f-64
0.323
WIL-UNI-5578df48-17
0.322
MAR-TRE-2fd8122f-90
0.322
LON-WEI-120e5cf5-4
0.322
MAK-UNK-10799360-24
0.320
SAD-SAT-135344c3-3
0.319
MAR-TRE-2fd8122f-13
0.319
ANT-DIA-3c79be55-5
0.318
KEI-TRE-d5e2018a-15
0.315
MAR-TRE-7f7bb9f0-18
0.315
SAD-SAT-2fd372d1-7
0.313
MAK-UNK-a7b37c5e-2
0.313
MAR-TRE-2fd8122f-16
0.313
MAK-UNK-b2c98f02-5
0.313
ALE-HEI-f28a35b5-16
0.312
DAR-DIA-fc970077-9
0.312
JOH-IMS-62aeb97d-4
0.312
WIL-UNI-5578df48-6
0.312
MAK-UNK-c97f7c8f-2
0.310
MAR-TRE-fd17a9b8-44
0.310
SAD-SAT-135344c3-1
0.309
SAN-PRS-52b81272-2
0.308
SAN-PRS-52b81272-3
0.308
SIM-SYN-a98e6a07-2
0.308
WIL-UNI-5578df48-5
0.307
LON-WEI-120e5cf5-13
0.307
ADA-UNI-f8e79267-6
0.307
MAR-TRE-f6f5f473-78
0.306
DAR-DIA-fc970077-4
0.306
MAR-TRE-2fd8122f-81
0.306
DRA-CSI-7ec17797-1
0.306
MAR-TRE-04c86cea-17
0.305
MAK-UNK-009ebe36-8
0.305
MAK-UNK-a7b37c5e-1
0.305
LON-WEI-120e5cf5-21
0.303
FRA-FAC-9ed5a63a-4
0.302
MAK-UNK-c97f7c8f-1
0.302
WIL-UNI-5578df48-7
0.302
MAR-TRE-04c86cea-35
0.302
MAR-TRE-f6f5f473-23
0.302
DAR-DIA-842b4336-7
0.301
MED-UNK-e6e8ef8a-1
0.301
MAR-TRE-f6f5f473-6
0.300
MAR-TRE-67513f76-20
0.300
MAR-TRE-04c86cea-49
0.299
MAR-TRE-04c86cea-31
0.299
SID-ELM-2583a2cd-22
0.299
DAR-DIA-fc970077-14
0.299
MAR-TRE-74c6519b-47
0.299
ALP-POS-02c6a514-56
0.298
MAR-TRE-2fd8122f-74
0.298
LON-WEI-120e5cf5-14
0.298
MAR-TRE-9c797165-8
0.297