MMsINC Database Search


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MMsINC code: MMs02677828

Type: Neutral
Formula: C₁₄H₁₄N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1nccc(c1)C

InChI:

InChI=1/C14H14N2O2/c1-10-7-8-15-13(9-10)16-14(17)11-3-5-12(18-2)6-4-11/h3-9H,1-2H3,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3598 kcal/mol

Physical Properties
Molecular Weight: 242.278 g/mol	logS: -2.93229	SlogP: 2.65092	Reactive groups: 0

Topological Properties
Globularity: 0.00624143	Sterimol/B1: 2.34608	Sterimol/B2: 2.43251	Sterimol/B3: 2.52387
Sterimol/B4: 6.06638	Sterimol/L: 16.394

Surface and Volume Properties
Accessible surface: 481.072	Positive charged surface: 324.776	Negative charged surface: 156.296	Volume: 238.25
Hydrophobic surface: 417.172	Hydrophilic surface: 63.9

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.