MMsINC Database Search


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MMsINC code: MMs02807174

Type: Neutral
Formula: C₂₀H₁₈N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1c2c(ccc1)cccc2)C

InChI:

InChI=1/C20H18N2/c1-14-10-19-20(11-15(14)2)22(13-21-19)12-17-8-5-7-16-6-3-4-9-18(16)17/h3-11,13H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6817 kcal/mol

Physical Properties
Molecular Weight: 286.378 g/mol	logS: -6.29221	SlogP: 5.12104	Reactive groups: 0

Topological Properties
Globularity: 0.0963921	Sterimol/B1: 2.48881	Sterimol/B2: 4.07324	Sterimol/B3: 5.18037
Sterimol/B4: 5.75804	Sterimol/L: 14.8447

Surface and Volume Properties
Accessible surface: 527.983	Positive charged surface: 305.493	Negative charged surface: 212.212	Volume: 298
Hydrophobic surface: 488.027	Hydrophilic surface: 39.956

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.