Molecular Properties | |
SMILES: | Cn1ccc(CN(C(=O)Cc2ccc(N)nc2)c2ccc(NC(=O)c3ccccc3)cc2)c1 |
MW: | 439.519 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 93.25 |
cLogP: | 4.0305 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
RUT-UNI-630c5802-6
0.730
RUT-UNI-630c5802-3
0.711
RUT-UNI-630c5802-12
0.670
RUT-UNI-630c5802-7
0.642
RUT-UNI-630c5802-16
0.629
RUT-UNI-630c5802-5
0.548
RUT-UNI-630c5802-2
0.505
RUT-UNI-630c5802-10
0.476
RUT-UNI-630c5802-4
0.453
RUT-UNI-630c5802-14
0.444
RUT-UNI-630c5802-11
0.423
RUT-UNI-630c5802-15
0.386
RUT-UNI-630c5802-1
0.379
ALP-POS-bad7201a-4
0.377
RUT-UNI-630c5802-9
0.358
MAD-UNK-84a4f939-1
0.345
MAD-UNK-b1ea4171-1
0.345
RUT-UNI-630c5802-13
0.339
RAL-THA-d07c7800-5
0.328
RAL-THA-d07c7800-1
0.322
CHR-SOS-7098f804-9
0.321
CHR-SOS-7098f804-6
0.315
RAL-THA-d07c7800-2
0.308
ALP-POS-8ed8d9ec-9
0.301
RAL-THA-d07c7800-4
0.298
ALP-POS-c0c213c9-14
0.296
MAR-TRE-74c6519b-52
0.288
MAR-TRE-f6f5f473-77
0.287
RAL-THA-d07c7800-6
0.283
MAR-TRE-4f781e27-12
0.283
ALP-POS-bad7201a-14
0.282
MAR-TRE-f6f5f473-90
0.282
ALP-POS-bad7201a-12
0.280
AAR-POS-fca48359-1
0.280
PET-UNK-55f647aa-3
0.278
ALP-POS-7c842ab8-2
0.276
AAR-UNI-c25c2f1e-82
0.272
MAR-TRE-9d18ae8c-18
0.269
ALP-POS-a1bdc92a-1
0.267
ALP-POS-bad7201a-10
0.265
MAR-TRE-74c6519b-24
0.265
MAR-TRE-74c6519b-48
0.265
JUL-TUD-06b2044f-43
0.265
ALP-POS-bad7201a-6
0.262
MAR-TRE-8190bb11-7
0.262
NIC-UNI-0cb6411b-1
0.261
MAR-LAB-efb042c5-6
0.260
MAR-TRE-8190bb11-69
0.260
AAR-UNI-c25c2f1e-2
0.260
RAL-THA-d07c7800-3
0.259
ALP-POS-a3de0cb1-1
0.258
ALP-POS-87c86d55-2
0.258
ALP-POS-c59291d4-2
0.258
ALP-POS-8ed8d9ec-1
0.258
DRA-CSI-3ab97369-14
0.257
DRA-CSI-13f611db-2
0.257
MAR-TRE-66ac689e-51
0.257
MAR-TRE-4f781e27-1
0.257
ALP-POS-a3de0cb1-9
0.256
ALP-POS-8ed8d9ec-13
0.256
MAR-TRE-d0525fbf-82
0.255
ALP-POS-8ed8d9ec-6
0.254
ALP-POS-a3de0cb1-16
0.254
MAR-TRE-7f7bb9f0-47
0.252
KEI-TRE-d5e2018a-71
0.252
ALP-POS-a3de0cb1-15
0.252
ALP-POS-bad7201a-1
0.252
ALP-POS-a3de0cb1-4
0.252
MAR-TRE-7f7bb9f0-86
0.250
MAR-TRE-3e4e6814-23
0.250
ROB-IMP-e811baff-1
0.250
MAR-TRE-6a44bbf2-71
0.250
WIL-UNI-5578df48-3
0.250
ALP-POS-c0c213c9-5
0.248
AAR-UNI-c25c2f1e-9
0.248
MAR-TRE-4f781e27-31
0.248
KEI-TRE-d5e2018a-100
0.246
KEI-TRE-d5e2018a-91
0.246
MAR-TRE-74c6519b-29
0.246
MAR-TRE-9d18ae8c-58
0.245
ALP-POS-c0c213c9-9
0.244
MAR-TRE-4b834d9a-58
0.244
NIC-UNI-80385019-1
0.244
MAR-TRE-7f7bb9f0-67
0.243
MAR-TRE-66ac689e-88
0.243
WIL-UNI-5578df48-8
0.243
ALP-POS-c59291d4-3
0.242
MAR-LAB-ff9967db-5
0.241
MAR-TRE-799db12b-17
0.241
MAR-TRE-9d18ae8c-9
0.241
MAR-TRE-74c6519b-46
0.241
ALP-POS-a3de0cb1-11
0.240
KEI-TRE-d5e2018a-56
0.239
ROM-UNK-ef52a3c9-4
0.239
ALP-POS-bad7201a-7
0.238
MAR-TRE-9c797165-84
0.238
DRA-CSI-3ab97369-8
0.238
UNK-UNK-2ede4078-14
0.236
AAR-UNI-c25c2f1e-65
0.236
UNK-UNK-2ede4078-44
0.235