MMsINC Database Search


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MMsINC code: MMs02662849

Type: Neutral
Formula: C₁₇H₁₇NO₅

SMILES:

O(C(=O)c1cc(OC)cc(OC)c1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C17H17NO5/c1-11(19)18-13-4-6-14(7-5-13)23-17(20)12-8-15(21-2)10-16(9-12)22-3/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)=101.432 kcal/mol

Physical Properties
Molecular Weight: 315.325 g/mol	logS: -3.80915	SlogP: 2.8814	Reactive groups: 0

Topological Properties
Globularity: 0.0356428	Sterimol/B1: 2.81966	Sterimol/B2: 4.20535	Sterimol/B3: 4.57154
Sterimol/B4: 5.3531	Sterimol/L: 18.0805

Surface and Volume Properties
Accessible surface: 581.755	Positive charged surface: 395.483	Negative charged surface: 186.272	Volume: 296.75
Hydrophobic surface: 480.14	Hydrophilic surface: 101.615

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.