MMsINC Database Search


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MMsINC code: MMs00492740

Type: Neutral
Formula: C₁₆H₁₄N₂O₂

SMILES:

O(C)c1ccccc1\N=C/1\c2cc(ccc2NC\1=O)C

InChI:

InChI=1/C16H14N2O2/c1-10-7-8-12-11(9-10)15(16(19)18-12)17-13-5-3-4-6-14(13)20-2/h3-9H,1-2H3,(H,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.52 kcal/mol

Physical Properties
Molecular Weight: 266.3 g/mol	logS: -4.48365	SlogP: 3.07652	Reactive groups: 0

Topological Properties
Globularity: 0.16143	Sterimol/B1: 2.04325	Sterimol/B2: 2.85189	Sterimol/B3: 4.73446
Sterimol/B4: 8.82329	Sterimol/L: 12.6648

Surface and Volume Properties
Accessible surface: 477.359	Positive charged surface: 309.242	Negative charged surface: 168.117	Volume: 254.375
Hydrophobic surface: 371.925	Hydrophilic surface: 105.434

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.