MMsINC Database Search


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MMsINC code: MMs00285452

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O=C1N(N(CC1)C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14N2O2/c19-15-11-12-17(16(20)13-7-3-1-4-8-13)18(15)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.578 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -3.45814	SlogP: 2.4807	Reactive groups: 0

Topological Properties
Globularity: 0.0632441	Sterimol/B1: 3.01749	Sterimol/B2: 3.54351	Sterimol/B3: 3.557
Sterimol/B4: 6.34282	Sterimol/L: 13.921

Surface and Volume Properties
Accessible surface: 476.121	Positive charged surface: 271.236	Negative charged surface: 204.885	Volume: 254.125
Hydrophobic surface: 417.52	Hydrophilic surface: 58.601

Pharmacophoric Properties
Hydrogen bond donors: 0	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.