MMsINC Database Search


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MMsINC code: MMs00279953

Type: Neutral
Formula: C₂₀H₂₅NO₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCOc1cc(C)c(cc1)C

InChI:

InChI=1/C20H25NO5/c1-13-6-7-16(10-14(13)2)26-9-8-21-20(22)15-11-17(23-3)19(25-5)18(12-15)24-4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.696 kcal/mol

Physical Properties
Molecular Weight: 359.422 g/mol	logS: -4.47471	SlogP: 3.13804	Reactive groups: 0

Topological Properties
Globularity: 0.0522834	Sterimol/B1: 3.39899	Sterimol/B2: 4.3322	Sterimol/B3: 4.65655
Sterimol/B4: 6.13889	Sterimol/L: 18.7806

Surface and Volume Properties
Accessible surface: 675.047	Positive charged surface: 507.537	Negative charged surface: 167.51	Volume: 353
Hydrophobic surface: 610.074	Hydrophilic surface: 64.973

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.