MMsINC Database Search


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MMsINC code: MMs01843672

Type: Neutral
Formula: C₂₀H₁₉NO₅

SMILES:

o1c2c(cc(OC(=O)N(C)C)cc2)c(C(OCC)=O)c1-c1ccccc1

InChI:

InChI=1/C20H19NO5/c1-4-24-19(22)17-15-12-14(25-20(23)21(2)3)10-11-16(15)26-18(17)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.9425 kcal/mol

Physical Properties
Molecular Weight: 353.374 g/mol	logS: -6.01572	SlogP: 4.3369	Reactive groups: 0

Topological Properties
Globularity: 0.0418937	Sterimol/B1: 2.49258	Sterimol/B2: 2.55812	Sterimol/B3: 4.52529
Sterimol/B4: 10.0394	Sterimol/L: 17.6962

Surface and Volume Properties
Accessible surface: 637.645	Positive charged surface: 424.651	Negative charged surface: 206.914	Volume: 334.625
Hydrophobic surface: 549.732	Hydrophilic surface: 87.913

Pharmacophoric Properties
Hydrogen bond donors: 0	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.