MMsINC Database Search


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MMsINC code: MMs01695036

Type: Neutral
Formula: C₁₆H₁₈N₂O₅

SMILES:

O(C)c1cc(OC)c(OC)cc1CNC(=O)C=1C=CC(=O)NC=1

InChI:

InChI=1/C16H18N2O5/c1-21-12-7-14(23-3)13(22-2)6-11(12)9-18-16(20)10-4-5-15(19)17-8-10/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1124 kcal/mol

Physical Properties
Molecular Weight: 318.329 g/mol	logS: -2.79154	SlogP: 1.1649	Reactive groups: 0

Topological Properties
Globularity: 0.121045	Sterimol/B1: 2.26365	Sterimol/B2: 4.05896	Sterimol/B3: 4.46421
Sterimol/B4: 9.21266	Sterimol/L: 16.0994

Surface and Volume Properties
Accessible surface: 578.923	Positive charged surface: 419.499	Negative charged surface: 159.424	Volume: 293
Hydrophobic surface: 434.327	Hydrophilic surface: 144.596

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.