MMsINC Database Search


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MMsINC code: MMs02672839

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

Oc1cc(N)ccc1NC(=O)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4938 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -3.18772	SlogP: 2.53512	Reactive groups: 0

Topological Properties
Globularity: 0.0156218	Sterimol/B1: 2.54858	Sterimol/B2: 2.55321	Sterimol/B3: 4.01726
Sterimol/B4: 4.11485	Sterimol/L: 15.9771

Surface and Volume Properties
Accessible surface: 474.859	Positive charged surface: 288.63	Negative charged surface: 186.229	Volume: 236.125
Hydrophobic surface: 332.887	Hydrophilic surface: 141.972

Pharmacophoric Properties
Hydrogen bond donors: 3	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.