MMsINC Database Search


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MMsINC code: MMs00049246

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(=O)NN

InChI:

InChI=1/C14H14N2O2/c15-16-14(17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0458 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.43521	SlogP: 2.1355	Reactive groups: 0

Topological Properties
Globularity: 0.0469261	Sterimol/B1: 3.13524	Sterimol/B2: 3.61507	Sterimol/B3: 3.64926
Sterimol/B4: 4.17873	Sterimol/L: 17.0764

Surface and Volume Properties
Accessible surface: 488.216	Positive charged surface: 276.516	Negative charged surface: 211.7	Volume: 236.5
Hydrophobic surface: 349.565	Hydrophilic surface: 138.651

Pharmacophoric Properties
Hydrogen bond donors: 2	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.