MMsINC Database Search


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MMsINC code: MMs00868027

Type: Neutral
Formula: C₁₉H₂₁NO₅

SMILES:

O(CC(=O)NC(Cc1ccccc1)C(OC)=O)c1ccc(OC)cc1

InChI:

InChI=1/C19H21NO5/c1-23-15-8-10-16(11-9-15)25-13-18(21)20-17(19(22)24-2)12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H,20,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9997 kcal/mol

Physical Properties
Molecular Weight: 343.379 g/mol	logS: -3.89575	SlogP: 1.97447	Reactive groups: 0

Topological Properties
Globularity: 0.0710392	Sterimol/B1: 2.29803	Sterimol/B2: 5.29484	Sterimol/B3: 6.17967
Sterimol/B4: 6.73397	Sterimol/L: 17.3038

Surface and Volume Properties
Accessible surface: 638.024	Positive charged surface: 426.695	Negative charged surface: 211.329	Volume: 331.125
Hydrophobic surface: 553.144	Hydrophilic surface: 84.88

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.