MMsINC Database Search


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MMsINC code: MMs02635801

Type: Neutral
Formula: C₁₄H₁₆N₂

SMILES:

N(C)c1cc(ccc1)Cc1ccc(N)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5942 kcal/mol

Physical Properties
Molecular Weight: 212.296 g/mol	logS: -3.0186	SlogP: 2.90127	Reactive groups: 0

Topological Properties
Globularity: 0.117314	Sterimol/B1: 2.5612	Sterimol/B2: 2.63745	Sterimol/B3: 4.68834
Sterimol/B4: 5.73443	Sterimol/L: 13.6911

Surface and Volume Properties
Accessible surface: 454.148	Positive charged surface: 318.006	Negative charged surface: 136.142	Volume: 227.625
Hydrophobic surface: 368.653	Hydrophilic surface: 85.495

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: no related molecules available.