Molecular Properties | |
SMILES: | Nc1cncc(NC(=O)CC2CCCCC2)c1 |
MW: | 233.315 |
Fraction sp3: | 0.54 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.01 |
cLogP: | 2.5727 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
SID-ELM-2583a2cd-19
0.655
SID-ELM-2583a2cd-15
0.633
ALE-HEI-f28a35b5-9
0.550
FRA-FAC-9ed5a63a-1
0.550
AAR-POS-d2a4d1df-13
0.550
SID-ELM-b654bfa2-21
0.516
SID-ELM-8b394441-16
0.508
MAK-UNK-b2c98f02-4
0.494
TRY-UNI-714a760b-1
0.492
DAN-PUR-19f24f0c-1
0.481
EDG-MED-0da5ad92-4
0.439
TRY-UNI-714a760b-10
0.439
ALE-HEI-f28a35b5-6
0.439
SID-ELM-2583a2cd-1
0.431
SID-ELM-2583a2cd-3
0.431
SID-ELM-b654bfa2-8
0.429
CHA-KIN-ceadbd93-2
0.426
SID-ELM-8b394441-17
0.423
SID-ELM-8b394441-18
0.417
SID-ELM-2583a2cd-2
0.411
SID-ELM-2583a2cd-12
0.411
SID-ELM-2583a2cd-13
0.405
SID-ELM-2583a2cd-18
0.405
SID-ELM-b654bfa2-9
0.403
SID-ELM-2583a2cd-4
0.400
SID-ELM-b654bfa2-15
0.400
SID-ELM-2583a2cd-5
0.397
SID-ELM-2583a2cd-21
0.395
SID-ELM-b654bfa2-16
0.395
SID-ELM-8b394441-4
0.391
SID-ELM-8b394441-2
0.391
SID-ELM-b654bfa2-11
0.382
SID-ELM-8b394441-21
0.382
SID-ELM-8b394441-26
0.382
DAR-DIA-23aa0b97-9
0.379
SID-ELM-8b394441-19
0.377
SID-ELM-8b394441-24
0.377
FRA-FAC-9ed5a63a-5
0.375
MAK-UNK-b2c98f02-3
0.369
SID-ELM-b654bfa2-13
0.368
SID-ELM-b654bfa2-10
0.367
SID-ELM-b654bfa2-20
0.364
SID-ELM-8b394441-25
0.364
CHA-KIN-ceadbd93-6
0.362
DAR-DIA-23aa0b97-13
0.362
MED-UNK-e6e8ef8a-8
0.361
DAR-DIA-23aa0b97-8
0.361
SID-ELM-b654bfa2-12
0.359
SID-ELM-b654bfa2-14
0.359
SID-ELM-8b394441-23
0.359
FRA-FAC-9ed5a63a-2
0.357
MED-UNK-e6e8ef8a-3
0.357
MED-UNK-e6e8ef8a-2
0.357
SID-ELM-8b394441-22
0.354
SID-ELM-8b394441-20
0.350
DAR-DIA-23aa0b97-7
0.338
DAR-DIA-03336633-5
0.333
MAK-UNK-b2c98f02-2
0.326
MAK-UNK-b2c98f02-1
0.318
MED-UNK-e6e8ef8a-5
0.306
MAR-TRE-67513f76-6
0.304
MED-UNK-e6e8ef8a-4
0.293
DAR-DIA-23aa0b97-3
0.291
MAR-TRE-b77b7921-53
0.289
KEI-TRE-d5e2018a-77
0.289
VLA-UCB-34f3ed0c-6
0.281
JOR-UNI-2fc98d0b-12
0.281
SAN-PRS-52b81272-1
0.278
MAK-UNK-f2409524-10
0.276
MAK-UNK-b2c98f02-9
0.275
TRY-UNI-714a760b-13
0.273
JOR-UNI-61e7b1d5-18
0.272
MAK-UNK-f2409524-9
0.270
MED-UNK-e6e8ef8a-1
0.270
MED-UNK-e6e8ef8a-7
0.270
BEN-BAS-2a7c309d-1
0.270
DAN-PUR-19f24f0c-2
0.269
EDG-MED-0da5ad92-9
0.266
SEL-UNI-49ab05bd-1
0.265
TRY-UNI-714a760b-7
0.263
MAR-TRE-b77b7921-80
0.262
MAR-TRE-b77b7921-97
0.262
MAR-TRE-3e4e6814-49
0.262
JOR-UNI-61e7b1d5-20
0.261
ALE-HEI-f28a35b5-8
0.260
BEN-DND-6de5dfa0-18
0.260
MAR-TRE-74c6519b-91
0.259
MAR-TRE-67513f76-70
0.258
MAK-UNK-b2c98f02-8
0.258
JOH-IMS-62aeb97d-1
0.257
MAK-UNK-c8c8f7e2-11
0.257
MAK-UNK-7a704a63-6
0.257
CHR-SOS-f7373dd1-2
0.256
MAR-TRE-3e4e6814-62
0.256
SAD-SAT-cefd50cc-4
0.256
YOI-UNK-4c10088f-1
0.254
MED-UNK-e6e8ef8a-6
0.253
MAR-TRE-f6f5f473-28
0.253
CHR-SOS-54d5cf3e-4
0.250
SAD-SAT-cefd50cc-6
0.250