MMsINC Database Search


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MMsINC code: MMs02207343

Type: Neutral
Formula: C₂₃H₁₅NO₄

SMILES:

O=C1c2c(cccc2NC(=O)c2ccc(cc2)C(=O)C)C(=O)c2c1cccc2

InChI:

InChI=1/C23H15NO4/c1-13(25)14-9-11-15(12-10-14)23(28)24-19-8-4-7-18-20(19)22(27)17-6-3-2-5-16(17)21(18)26/h2-12H,1H3,(H,24,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.022 kcal/mol

Physical Properties
Molecular Weight: 369.376 g/mol	logS: -6.16726	SlogP: 3.9169	Reactive groups: 0

Topological Properties
Globularity: 0.0110654	Sterimol/B1: 2.44209	Sterimol/B2: 2.96292	Sterimol/B3: 3.81047
Sterimol/B4: 8.47935	Sterimol/L: 17.2766

Surface and Volume Properties
Accessible surface: 597.998	Positive charged surface: 308.218	Negative charged surface: 289.78	Volume: 340
Hydrophobic surface: 465.252	Hydrophilic surface: 132.746

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.