MMsINC Database Search


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MMsINC code: MMs02677728

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

Oc1c(cccc1C(=O)NN)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0706 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.05791	SlogP: 1.58647	Reactive groups: 0

Topological Properties
Globularity: 0.119025	Sterimol/B1: 2.17058	Sterimol/B2: 3.29053	Sterimol/B3: 5.06682
Sterimol/B4: 6.19354	Sterimol/L: 13.6184

Surface and Volume Properties
Accessible surface: 464.352	Positive charged surface: 280.05	Negative charged surface: 184.302	Volume: 236.75
Hydrophobic surface: 313.631	Hydrophilic surface: 150.721

Pharmacophoric Properties
Hydrogen bond donors: 3	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.