Molecular Properties | |
SMILES: | O=C(Nc1nnc2ccccn12)N(Cc1ccccc1)c1ccc(N2CCOCC2)cc1 |
MW: | 428.2 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.0 |
cLogP: | 3.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (2)
ALP-POS-bad7201a-10
0.679
ALP-POS-a3de0cb1-4
0.619
ALP-POS-bad7201a-3
0.548
ALP-POS-6d04362c-5
0.490
ALP-POS-bad7201a-6
0.476
ALP-POS-8ed8d9ec-6
0.425
ALP-POS-a3de0cb1-11
0.398
ALP-POS-6d04362c-4
0.387
ALP-POS-c0c213c9-12
0.385
CHO-MSK-00c5269a-4
0.381
ALP-POS-8ed8d9ec-4
0.375
ALP-POS-a3de0cb1-9
0.364
ALP-POS-8ed8d9ec-13
0.364
NAU-LAT-a5c7d7cb-12
0.361
PET-UNK-e44ffd04-1
0.361
BEN-DND-02317c5c-8
0.361
ALP-POS-7c842ab8-2
0.360
ALP-POS-a3de0cb1-10
0.355
WIL-UNI-5578df48-3
0.347
ALP-POS-8ed8d9ec-16
0.343
ALP-POS-bad7201a-2
0.333
ALP-POS-8ed8d9ec-12
0.328
ALP-POS-a3de0cb1-1
0.319
ALP-POS-bad7201a-12
0.317
ALP-POS-bad7201a-13
0.314
ALP-POS-c0c213c9-16
0.312
WIL-UNI-5578df48-8
0.312
ALP-POS-bad7201a-8
0.310
ALP-POS-bad7201a-14
0.310
ALP-POS-a1bdc92a-1
0.306
DAR-DIA-093892e4-11
0.304
ALP-POS-6d04362c-1
0.296
ALP-POS-8ed8d9ec-9
0.295
ALP-POS-6d04362c-3
0.294
MAR-LAB-efb042c5-6
0.293
JOH-UNI-522b0723-10
0.292
EDG-MED-0da5ad92-20
0.291
CHO-MSK-00c5269a-5
0.289
ALP-POS-7c842ab8-1
0.283
ALP-POS-d0876c20-22
0.280
RUT-UNI-630c5802-5
0.272
ALP-POS-a3de0cb1-2
0.272
MAR-TRE-fd17a9b8-97
0.271
ALP-POS-8ed8d9ec-10
0.267
PAT-GYR-de8eec61-3
0.265
UNK-UNK-2ede4078-14
0.264
RUT-UNI-630c5802-1
0.264
MIC-UNK-bcd487e9-1
0.263
ALP-POS-8ed8d9ec-1
0.262
DAR-DIA-093892e4-9
0.262
ALP-POS-a3de0cb1-12
0.260
RUT-UNI-630c5802-13
0.260
ALP-POS-a3de0cb1-16
0.258
RUT-UNI-630c5802-9
0.258
BAR-COM-0f94fc3d-33
0.257
ALP-POS-c59291d4-3
0.256
GIA-UNK-3f36037a-6
0.255
BAR-COM-4e090d3a-58
0.255
ROB-IMP-e811baff-1
0.254
WIL-UNI-d4749f31-7
0.252
JOR-UNI-2fc98d0b-1
0.252
WIL-UNI-2a57d06c-1
0.252
AAR-POS-8a4e0f60-11
0.252
RUT-UNI-630c5802-8
0.252
JOR-UNI-61e7b1d5-4
0.252
GIA-UNK-3f36037a-2
0.250
MAD-UNK-b1ea4171-1
0.250
MAD-UNK-84a4f939-1
0.250
MAT-POS-24589f88-6
0.248
KAD-UNI-cb0f2bbc-8
0.248
DAR-DIA-093892e4-10
0.248
JOR-UNI-2fc98d0b-6
0.248
MAR-TRE-4b834d9a-64
0.248
MAR-TRE-9c797165-69
0.248
RUT-UNI-630c5802-6
0.246
ALP-POS-c59291d4-1
0.244
JOR-UNI-61e7b1d5-3
0.244
MAR-TRE-04c86cea-93
0.243
ALP-POS-bad7201a-7
0.242
ALP-POS-c59291d4-2
0.242
MAR-TRE-3e4e6814-16
0.241
JOH-UNI-abdb2f0c-1
0.241
RAL-THA-d07c7800-4
0.240
JOR-UNI-61e7b1d5-16
0.240
RAL-THA-4a5dabff-1
0.239
MAR-TRE-67513f76-60
0.239
RUT-UNI-630c5802-16
0.238
PAT-GYR-de8eec61-4
0.238
DRA-CSI-0a78d9ba-1
0.236
SCO-CSI-e30c12ee-1
0.236
RUT-UNI-630c5802-3
0.236
ALP-POS-c59291d4-4
0.235
AGN-NEW-c197b967-1
0.235
JOR-UNI-61e7b1d5-17
0.234
PAT-GYR-de8eec61-1
0.234
MAK-UNK-987948f6-11
0.234
MAR-TRE-67513f76-86
0.233
JOH-UNI-abdb2f0c-3
0.233
NIM-UNI-310206f0-7
0.233
MAK-UNK-b7886382-2
0.233