MMsINC Database Search


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MMsINC code: MMs02683123

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

Oc1ccc(NC(=O)c2ccc(NC(=O)C)cc2)cc1

InChI:

InChI=1/C15H14N2O3/c1-10(18)16-12-4-2-11(3-5-12)15(20)17-13-6-8-14(19)9-7-13/h2-9,19H,1H3,(H,16,18)(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5634 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.20237	SlogP: 2.6029	Reactive groups: 0

Topological Properties
Globularity: 0.0118106	Sterimol/B1: 2.53904	Sterimol/B2: 2.65759	Sterimol/B3: 3.03541
Sterimol/B4: 4.9395	Sterimol/L: 17.7931

Surface and Volume Properties
Accessible surface: 512.668	Positive charged surface: 298.037	Negative charged surface: 214.631	Volume: 254.75
Hydrophobic surface: 372.298	Hydrophilic surface: 140.37

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.