Molecular Properties | |
SMILES: | N#Cc1ccccc1CNC1(C#Cc2ccccn2)CCCCC1 |
MW: | 315.42 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 48.71 |
cLogP: | 3.79748 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
WAR-XCH-b0339bbe-14
0.610
WAR-XCH-b0339bbe-8
0.566
WAR-XCH-bdd24732-45
0.406
WAR-XCH-e55cba98-1
0.393
CHR-SOS-6c45c019-1
0.391
WAR-XCH-b0339bbe-16
0.391
WAR-XCH-e55cba98-13
0.367
CHR-SOS-6c45c019-4
0.355
WAR-XCH-b0339bbe-17
0.348
CHR-SOS-6c45c019-7
0.348
CHR-SOS-b301fc01-1
0.330
CHR-SOS-6c45c019-10
0.326
WAR-XCH-79d12f6e-16
0.323
WAR-XCH-e55cba98-12
0.311
MAR-TRE-14ce9fd6-87
0.310
WAR-XCH-bdd24732-35
0.309
WAR-XCH-79d12f6e-15
0.307
WAR-XCH-bdd24732-43
0.307
WAR-XCH-bdd24732-42
0.304
WAR-XCH-bdd24732-44
0.303
WAR-XCH-e55cba98-4
0.299
WAR-XCH-bdd24732-21
0.298
WAR-XCH-bdd24732-41
0.292
WAR-XCH-e55cba98-2
0.284
WAR-XCH-79d12f6e-2
0.281
WAR-XCH-e55cba98-8
0.278
WAR-XCH-79d12f6e-11
0.278
MAK-UNK-6ca90168-9
0.274
MAR-TRE-a78003aa-46
0.272
GAB-REV-4a4e2ff3-13
0.264
RAL-THA-2d450e86-40
0.242
AAR-POS-0daf6b7e-22
0.237
MAR-TRE-14ce9fd6-63
0.233
MAR-TRE-14ce9fd6-1
0.232
WAR-XCH-72a8c209-6
0.230
MAK-UNK-1bb0b7ee-5
0.229
MAR-TRE-0fda4e82-9
0.229
CHR-SOS-6c45c019-13
0.229
MAR-TRE-6c5ef77a-40
0.227
MAK-UNK-1bb0b7ee-1
0.226
ANT-DIA-3c79be55-1
0.224
MAR-TRE-0fda4e82-32
0.224
MAR-TRE-a3327163-73
0.224
WAR-XCH-e55cba98-7
0.223
WAR-XCH-72a8c209-11
0.218
GER-UNI-cfb91824-1
0.218
MAK-UNK-a7992eb3-30
0.217
MAR-TRE-1c920f6f-93
0.215
CHR-SOS-6c45c019-3
0.214
MAR-TRE-1c920f6f-42
0.213
JON-UIO-066ce08b-3
0.212
CHR-SOS-6c45c019-2
0.212
CHR-SOS-b301fc01-7
0.212
ANT-DIA-3c79be55-2
0.211
CHR-SOS-54d5cf3e-6
0.210
NAU-LAT-445f63e5-4
0.209
MAR-TRE-1c920f6f-83
0.208
MAR-TRE-1c920f6f-3
0.208
MAR-TRE-3159af1a-41
0.206
MAR-TRE-14ce9fd6-36
0.206
ABI-SAT-aa268ad7-7
0.205
WAR-XCH-72a8c209-10
0.204
CHR-SOS-54d5cf3e-5
0.204
MAK-UNK-1bb0b7ee-3
0.204
CHR-SOS-b301fc01-6
0.202
CHR-SOS-54d5cf3e-7
0.202
MAR-TRE-b77b7921-86
0.202
THO-SYG-cc9e9a11-3
0.202
MAR-TRE-74c6519b-4
0.202
MAK-UNK-f983951f-8
0.200
MAK-UNK-bae89c02-2
0.200
MAR-TRE-1c920f6f-6
0.200
MAK-UNK-1bb0b7ee-2
0.200
CHR-SOS-6c45c019-14
0.198
THO-SYG-cc9e9a11-2
0.198
MAR-TRE-04c86cea-10
0.196
CHR-SOS-54d5cf3e-8
0.196
CHR-SOS-b301fc01-4
0.196
CHA-KIN-ceadbd93-5
0.196
MAR-TRE-a3327163-65
0.196
WAR-XCH-72a8c209-14
0.194
MAK-UNK-1bb0b7ee-9
0.194
MAR-TRE-a3327163-15
0.194
MAR-TRE-6c5ef77a-93
0.194
MAR-TRE-14ce9fd6-3
0.194
THO-SYG-cc9e9a11-4
0.193
MAK-UNK-a7992eb3-24
0.193
MAR-TRE-14ce9fd6-37
0.192
MAR-TRE-0fda4e82-12
0.192
MAR-TRE-f6f5f473-10
0.191
CHR-SOS-6c45c019-15
0.190
MAR-TRE-6c5ef77a-26
0.190
MAR-TRE-1c920f6f-74
0.190
MAK-UNK-f983951f-14
0.190
MAK-UNK-f983951f-15
0.190
MAR-TRE-a3327163-31
0.189
MAK-UNK-6ca90168-8
0.189
THO-SYG-cc9e9a11-7
0.189
JON-UNI-93996c9d-7
0.189
THO-SYG-cc9e9a11-1
0.188