MMsINC Database Search


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MMsINC code: MMs02791405

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1ccccc1C(=O)NN

InChI:

InChI=1/C14H14N2O2/c1-18-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(17)16-15/h2-9H,15H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.038 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -4.09369	SlogP: 1.9657	Reactive groups: 0

Topological Properties
Globularity: 0.0715015	Sterimol/B1: 2.62658	Sterimol/B2: 3.92242	Sterimol/B3: 5.304
Sterimol/B4: 5.39039	Sterimol/L: 14.0461

Surface and Volume Properties
Accessible surface: 468.256	Positive charged surface: 305.893	Negative charged surface: 159.122	Volume: 237.125
Hydrophobic surface: 349.788	Hydrophilic surface: 118.468

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.