Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc(C2NC(=O)c3ccccc32)ccc1N1CCN(C(=O)c2cnccn2)CC1 |
MW: | 478.534 |
Fraction sp3: | 0.22 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 138.59 |
cLogP: | 0.919199999999999 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N,N-Dialkyl aniline derivatives (4)
anil_di_alk_D(198)
DRV-UNK-64047f27-6
1.000
DRV-UNK-64047f27-2
0.667
DRV-UNK-dd7f8c68-2
0.667
DRV-UNK-dd7f8c68-4
0.659
DRV-UNK-64047f27-5
0.659
DRV-UNK-dd7f8c68-1
0.629
DRV-UNK-64047f27-8
0.629
DRV-UNK-dd7f8c68-3
0.602
DRV-UNK-64047f27-3
0.602
DRV-UNK-64047f27-4
0.600
DRV-UNK-dd7f8c68-5
0.600
DRV-UNK-64047f27-1
0.583
DRV-UNK-dd7f8c68-6
0.583
DRV-UNK-64047f27-7
0.577
DRV-UNK-dd7f8c68-8
0.577
DRV-UNK-dd7f8c68-7
0.432
DRV-UNK-64047f27-9
0.432
DRA-CSI-47e38074-11
0.340
MAR-TRE-74c6519b-54
0.257
UNK-UNK-2ede4078-96
0.250
MAT-POS-b5746674-19
0.238
JAR-KUA-8c13982c-10
0.233
UNK-UNK-2ede4078-74
0.231
SAD-SAT-5b1897b2-1
0.230
COM-UCB-8c7d23dc-5
0.230
UNK-UNK-2ede4078-75
0.229
COM-UCB-1ef4e90e-15
0.227
PEI-IMP-ca0b2813-4
0.226
MAR-TRE-3159af1a-61
0.225
MAR-TRE-3159af1a-32
0.224
COM-UCB-8c7d23dc-4
0.221
COM-UCB-8c7d23dc-17
0.221
DAV-CRI-3fe943ba-1
0.218
KOV-VNK-5e1a909f-44
0.217
STE-UNK-4e3fa4d2-1
0.217
UNK-UNK-2ede4078-79
0.215
KRI-MAR-d2e3ef86-7
0.215
COM-UCB-8c7d23dc-11
0.214
BEN-DND-7e92b6ca-16
0.214
KEI-UNI-85a52787-3
0.213
WAR-XCH-b72a1bbc-17
0.211
STU-CHA-464c0256-1
0.210
MAR-TRE-3159af1a-74
0.209
ERI-UCB-ce40166b-21
0.208
KEI-UNI-85a52787-2
0.207
SAD-SAT-89668ff1-9
0.207
JAR-KUA-41bd5a3d-6
0.207
COM-UCB-1ef4e90e-7
0.207
STU-CHA-09bcc2f6-1
0.207
UNK-UNK-2ede4078-85
0.207
DAV-CRI-3fe943ba-2
0.206
NAU-LAT-c9bfe74c-3
0.206
LON-WEI-b2874fec-12
0.205
MAK-UNK-8fdbca50-34
0.205
MIH-UNI-3396182e-7
0.205
MAT-POS-450cb4f9-1
0.205
RED-RED-10c9212c-54
0.205
JON-UIO-066ce08b-5
0.204
AUS-ARG-7cfdce8f-13
0.204
WAR-XCH-b6889685-11
0.203
ALP-POS-e0fe77e5-3
0.203
NIM-UNI-310206f0-27
0.203
SAD-SAT-f25ee457-6
0.203
KEI-UNI-85a52787-1
0.203
DUN-NEW-f8ce3686-3
0.202
ANU-UNK-2781581f-3
0.202
MAR-TRE-3159af1a-65
0.202
NIM-UNI-310206f0-28
0.202
NAU-LAT-28398581-3
0.200
ASH-UNK-40b46b30-14
0.200
MAR-TRE-3159af1a-50
0.200
COM-UCB-1ef4e90e-14
0.200
WIL-NOV-066c4001-1
0.200
BAR-COM-4e090d3a-53
0.200
MAR-TRE-74c6519b-66
0.198
NIR-THE-c331be7a-5
0.198
TAM-UNI-d1c3dd9f-3
0.198
COM-UCB-1ef4e90e-8
0.198
MIH-UNI-e573136b-12
0.198
NAU-LAT-64bf4c5d-4
0.198
MED-UNK-28939ac5-2
0.198
MAR-TRE-b77b7921-96
0.198
DAV-AUT-fa25ac7f-1
0.198
HEI-REL-0c990a45-2
0.198
MAK-UNK-702fb7d3-13
0.197
MAK-UNK-de8f6d00-6
0.197
MAK-UNK-de9577cf-15
0.197
EDG-MED-9fc99cca-3
0.197
KEI-UNI-85a52787-9
0.197
RED-RED-10c9212c-46
0.197
SAD-SAT-f2e2579e-1
0.197
EDJ-MED-d1cd9639-1
0.197
COM-UCB-8c7d23dc-10
0.197
BEN-DND-7e92b6ca-13
0.197
MAR-TRE-fd17a9b8-3
0.197
BAR-COM-4e090d3a-21
0.197
MAK-UNK-f0bfc2e0-2
0.197
SAD-SAT-89668ff1-2
0.197
NAU-LAT-445f63e5-5
0.196
AAR-POS-d2a4d1df-28
0.196