MMsINC Database Search


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MMsINC code: MMs01363217

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1ccccc1Nc1ccccc1)CC(=O)N

InChI:

InChI=1/C15H14N2O3/c16-14(18)10-20-15(19)12-8-4-5-9-13(12)17-11-6-2-1-3-7-11/h1-9,17H,10H2,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9161 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -3.66549	SlogP: 2.0723	Reactive groups: 0

Topological Properties
Globularity: 0.138644	Sterimol/B1: 2.37061	Sterimol/B2: 3.10472	Sterimol/B3: 4.65197
Sterimol/B4: 9.24359	Sterimol/L: 12.5513

Surface and Volume Properties
Accessible surface: 503.153	Positive charged surface: 308.592	Negative charged surface: 194.562	Volume: 254.75
Hydrophobic surface: 352.715	Hydrophilic surface: 150.438

Pharmacophoric Properties
Hydrogen bond donors: 2	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.