MMsINC Database Search


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MMsINC code: MMs02061618

Type: Neutral
Formula: C₁₄H₂₀N₂O₄

SMILES:

O(C(OCC)CNC(=O)C(=O)Nc1ccccc1)CC

InChI:

InChI=1/C14H20N2O4/c1-3-19-12(20-4-2)10-15-13(17)14(18)16-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7647 kcal/mol

Physical Properties
Molecular Weight: 280.324 g/mol	logS: -2.57997	SlogP: 1.1404	Reactive groups: 0

Topological Properties
Globularity: 0.103965	Sterimol/B1: 2.22019	Sterimol/B2: 2.39506	Sterimol/B3: 6.35767
Sterimol/B4: 7.19326	Sterimol/L: 15.6081

Surface and Volume Properties
Accessible surface: 577.408	Positive charged surface: 391.999	Negative charged surface: 185.409	Volume: 272.75
Hydrophobic surface: 427.705	Hydrophilic surface: 149.703

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.