MMsINC Database Search


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MMsINC code: MMs02259189

Type: Neutral
Formula: C₁₄H₁₆N₂

SMILES:

N(N)C(C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C14H16N2/c1-11(16-15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11,16H,15H2,1H3/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1586 kcal/mol

Physical Properties
Molecular Weight: 212.296 g/mol	logS: -3.78332	SlogP: 2.9734	Reactive groups: 0

Topological Properties
Globularity: 0.0516015	Sterimol/B1: 2.02358	Sterimol/B2: 3.49977	Sterimol/B3: 4.11772
Sterimol/B4: 4.80336	Sterimol/L: 14.9257

Surface and Volume Properties
Accessible surface: 456.393	Positive charged surface: 258.581	Negative charged surface: 186.673	Volume: 228.75
Hydrophobic surface: 348.35	Hydrophilic surface: 108.043

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02259190
NCID-ZINC01607391