MMsINC Database Search


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MMsINC code: MMs02816396

Type: Neutral
Formula: C₁₄H₁₄N₂

SMILES:

N(C(=N)c1ccccc1)(C)c1ccccc1

InChI:

InChI=1/C14H14N2/c1-16(13-10-6-3-7-11-13)14(15)12-8-4-2-5-9-12/h2-11,15H,1H3/b15-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0415 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -3.44964	SlogP: 3.14837	Reactive groups: 0

Topological Properties
Globularity: 0.102282	Sterimol/B1: 2.26554	Sterimol/B2: 2.53519	Sterimol/B3: 4.72362
Sterimol/B4: 5.38584	Sterimol/L: 14.2667

Surface and Volume Properties
Accessible surface: 435.673	Positive charged surface: 263.764	Negative charged surface: 171.909	Volume: 223.5
Hydrophobic surface: 399.365	Hydrophilic surface: 36.308

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

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Ions/Tautomers related molecules: no related molecules available.