Molecular Properties | |
SMILES: | Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O |
MW: | 402.08 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 106.25 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9737690608 |
MolPort: | MolPort-029-887-140 |
ALP-POS-c0c213c9-14
0.311
ALP-POS-c0c213c9-20
0.252
MAR-TRE-9d18ae8c-46
0.242
JOH-UNI-3fc3434e-9
0.236
JOH-UNI-ee5ed7c8-9
0.236
DRA-CSI-0a78d9ba-13
0.234
NJA-MAN-b8640440-40
0.233
EDJ-MED-f073a5ff-3
0.232
MAT-POS-ea426761-85
0.230
JOH-UNI-ee5ed7c8-10
0.229
JOH-UNI-3fc3434e-10
0.229
MAR-TRE-67513f76-66
0.227
NAU-LAT-42d4957e-6
0.227
AAR-UNI-c25c2f1e-90
0.227
ROD-LAS-d5538ff9-2
0.225
NJA-MAN-b8640440-39
0.225
MAR-TRE-2fd8122f-5
0.224
GAB-REV-70cc3ca5-20
0.223
NJA-MAN-b8640440-51
0.223
ALF-EVA-a24cc7ce-7
0.222
RUT-UNI-630c5802-16
0.220
MAR-TRE-6a44bbf2-64
0.220
JAR-KUA-41bd5a3d-4
0.219
NJA-MAN-b8640440-37
0.218
IAN-BAS-36ca50f1-1
0.217
MAR-TRE-c8530538-79
0.217
NJA-MAN-b8640440-53
0.217
NJA-MAN-00c90aa2-12
0.217
COM-UCB-8c7d23dc-15
0.217
MAR-TRE-fd17a9b8-31
0.217
YOI-UNK-12211982-2
0.216
NJA-MAN-b8640440-41
0.216
YOI-UNK-a533afbc-2
0.216
MAR-TRE-c8530538-89
0.216
THO-SYG-cc9e9a11-2
0.216
MAT-POS-bb423b95-7
0.216
ADA-UNI-f8e79267-3
0.216
CHR-SOS-7098f804-15
0.216
TAM-UNI-c140e31a-17
0.216
TAM-UNI-c140e31a-18
0.216
LON-WEI-b2874fec-6
0.215
WIL-UNI-2a57d06c-36
0.214
MAK-UNK-a7b37c5e-3
0.213
NJA-MAN-00c90aa2-24
0.213
AAR-POS-dddeddbf-1
0.213
WAL-WAB-c1441da0-2
0.213
SAD-SAT-f25ee457-8
0.212
NJA-MAN-b8640440-32
0.212
ASH-UNK-40b46b30-18
0.211
NJA-MAN-b8640440-50
0.210
SAD-SAT-f25ee457-7
0.210
THO-SYG-cc9e9a11-4
0.209
NJA-MAN-00c90aa2-50
0.209
BEN-DND-93268d01-4
0.208
NJA-MAN-b8640440-36
0.208
NJA-MAN-b8640440-6
0.208
NJA-MAN-00c90aa2-68
0.208
AAR-UNI-c25c2f1e-54
0.208
NJA-MAN-00c90aa2-25
0.208
MAR-TRE-c8530538-47
0.208
NJA-MAN-00c90aa2-28
0.208
RUT-UNI-630c5802-3
0.207
NIM-UNI-b87c0f72-3
0.207
NIM-UNI-b87c0f72-4
0.207
JAN-GHE-83b26c96-15
0.206
EDG-MED-0da5ad92-1
0.206
CHA-MCP-85291e1d-2
0.206
NJA-MAN-00c90aa2-7
0.206
IND-SYN-a2b2ab0e-2
0.205
IND-SYN-830dcead-1
0.205
IND-SYN-5e5c1c3e-1
0.205
ROM-UNK-ef52a3c9-1
0.204
MAR-TRE-aca67d11-6
0.204
JAN-GHE-1d98ec1c-1
0.204
NJA-MAN-b8640440-16
0.204
THO-SYG-cc9e9a11-6
0.204
NJA-MAN-b8640440-26
0.204
NJA-MAN-00c90aa2-31
0.204
SAD-SAT-cefd50cc-8
0.204
NJA-MAN-00c90aa2-37
0.204
NJA-MAN-00c90aa2-39
0.204
NJA-MAN-b8640440-52
0.204
MAR-TRE-c8530538-58
0.204
WIL-UNI-2a57d06c-35
0.204
RUT-UNI-630c5802-8
0.203
JON-UNI-93996c9d-1
0.202
MAT-POS-b5746674-49
0.202
SIM-DEM-5935bd74-4
0.202
MAR-TRE-e86a56b5-74
0.202
AGN-NEW-9315dc74-1
0.202
VIJ-CYC-1a381570-7
0.202
GAB-REV-70cc3ca5-15
0.202
NJA-MAN-b8640440-7
0.202
AGN-NEW-95323f67-6
0.202
KEI-TRE-d5e2018a-88
0.202
MAR-TRE-74c6519b-56
0.202
MAR-TRE-0fda4e82-38
0.202
MAT-POS-ea426761-84
0.202
RUT-UNI-630c5802-12
0.202
PET-UNK-e8c7a26f-1
0.200