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MMsINC code: MMs03416521

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c2c(C=Cc3c(cccc3)C2=C2CCN(CC2)C)ccc1

InChI:

InChI=1/C20H20N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-9,12H,10-11,13-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.459 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -2.95847	SlogP: 3.91019	Reactive groups: 0

Topological Properties
Globularity: 0.230252	Sterimol/B1: 3.66324	Sterimol/B2: 4.5663	Sterimol/B3: 5.84091
Sterimol/B4: 6.10089	Sterimol/L: 11.922

Surface and Volume Properties
Accessible surface: 522.969	Positive charged surface: 391.622	Negative charged surface: 131.346	Volume: 303.125
Hydrophobic surface: 510.449	Hydrophilic surface: 12.52

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03416522
PUBCHEM-ZINC05850618