MMsINC Database Search


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MMsINC code: MMs02362563

Type: Neutral
Formula: C₁₄H₁₄N₂O

SMILES:

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

InChI:

InChI=1/C14H14N2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,16H2,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8395 kcal/mol

Physical Properties
Molecular Weight: 226.279 g/mol	logS: -3.09626	SlogP: 1.6857	Reactive groups: 0

Topological Properties
Globularity: 0.325834	Sterimol/B1: 2.57438	Sterimol/B2: 3.58816	Sterimol/B3: 4.3821
Sterimol/B4: 6.39451	Sterimol/L: 11.689

Surface and Volume Properties
Accessible surface: 429.544	Positive charged surface: 246.766	Negative charged surface: 182.778	Volume: 225.5
Hydrophobic surface: 313.484	Hydrophilic surface: 116.06

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.