MMsINC Database Search


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MMsINC code: MMs00978133

Type: Neutral
Formula: C₂₀H₂₀N₂O₄

SMILES:

O=C1N(Cc2c1c(ccc2)C(=O)Nc1ccc(cc1)C(=O)C)CCOC

InChI:

InChI=1/C20H20N2O4/c1-13(23)14-6-8-16(9-7-14)21-19(24)17-5-3-4-15-12-22(10-11-26-2)20(25)18(15)17/h3-9H,10-12H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.93 kcal/mol

Physical Properties
Molecular Weight: 352.39 g/mol	logS: -3.97232	SlogP: 3.0101	Reactive groups: 0

Topological Properties
Globularity: 0.0413861	Sterimol/B1: 2.17804	Sterimol/B2: 3.61872	Sterimol/B3: 3.7307
Sterimol/B4: 8.955	Sterimol/L: 17.7166

Surface and Volume Properties
Accessible surface: 617.39	Positive charged surface: 424.289	Negative charged surface: 193.101	Volume: 336.875
Hydrophobic surface: 514.882	Hydrophilic surface: 102.508

Pharmacophoric Properties
Hydrogen bond donors: 1	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.