MMsINC Database Search


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MMsINC code: MMs01354436

Type: Neutral
Formula: C₁₅H₁₄N₂O₃

SMILES:

O(C(=O)c1ccc(cc1)CNC(=O)c1cccnc1)C

InChI:

InChI=1/C15H14N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-14(18)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2457 kcal/mol

Physical Properties
Molecular Weight: 270.288 g/mol	logS: -2.4225	SlogP: 2.0646	Reactive groups: 0

Topological Properties
Globularity: 0.0500615	Sterimol/B1: 3.08844	Sterimol/B2: 3.22889	Sterimol/B3: 4.2303
Sterimol/B4: 5.39553	Sterimol/L: 17.5185

Surface and Volume Properties
Accessible surface: 525.376	Positive charged surface: 353.875	Negative charged surface: 171.501	Volume: 258.25
Hydrophobic surface: 419.605	Hydrophilic surface: 105.771

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.