MMsINC Database Search


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MMsINC code: MMs03807835

Type: Neutral
Formula: C₁₄H₁₄N₂-2

SMILES:

[NH-]C(C([NH-])c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H14N2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/q-2/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.451 kcal/mol

Physical Properties
Molecular Weight: 210.28 g/mol	logS: -2.55784	SlogP: 3.2258	Reactive groups: 0

Topological Properties
Globularity: 0.0422294	Sterimol/B1: 3.35135	Sterimol/B2: 3.58605	Sterimol/B3: 3.58619
Sterimol/B4: 3.66781	Sterimol/L: 14.2518

Surface and Volume Properties
Accessible surface: 434.356	Positive charged surface: 222.622	Negative charged surface: 211.734	Volume: 221.75
Hydrophobic surface: 372.825	Hydrophilic surface: 61.531

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

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.