MMsINC Database Search


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MMsINC code: MMs01412058

Type: Neutral
Formula: C₁₈H₁₇NO₄

SMILES:

O(C(=O)c1ccc(cc1)C)CC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C18H17NO4/c1-12-6-8-14(9-7-12)18(22)23-11-17(21)19-16-5-3-4-15(10-16)13(2)20/h3-10H,11H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3198 kcal/mol

Physical Properties
Molecular Weight: 311.337 g/mol	logS: -4.54923	SlogP: 2.99312	Reactive groups: 0

Topological Properties
Globularity: 0.0156357	Sterimol/B1: 2.52423	Sterimol/B2: 3.19407	Sterimol/B3: 3.28799
Sterimol/B4: 6.35867	Sterimol/L: 17.8401

Surface and Volume Properties
Accessible surface: 588.161	Positive charged surface: 337.021	Negative charged surface: 251.14	Volume: 298.875
Hydrophobic surface: 461.931	Hydrophilic surface: 126.23

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.