MMsINC Database Search


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MMsINC code: MMs02551538

Type: Neutral
Formula: C₁₇H₁₇NO₄

SMILES:

O(C)c1cc(C(=O)c2ccccc2)c(NC(=O)C)cc1OC

InChI:

InChI=1/C17H17NO4/c1-11(19)18-14-10-16(22-3)15(21-2)9-13(14)17(20)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.991 kcal/mol

Physical Properties
Molecular Weight: 299.326 g/mol	logS: -3.7679	SlogP: 2.8932	Reactive groups: 0

Topological Properties
Globularity: 0.136248	Sterimol/B1: 2.3831	Sterimol/B2: 3.45992	Sterimol/B3: 4.98258
Sterimol/B4: 9.45203	Sterimol/L: 13.7178

Surface and Volume Properties
Accessible surface: 538.627	Positive charged surface: 362.875	Negative charged surface: 175.752	Volume: 287.125
Hydrophobic surface: 457.846	Hydrophilic surface: 80.781

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.