MMsINC Database Search


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MMsINC code: MMs02347455

Type: Neutral
Formula: C₁₈H₁₁NO₄

SMILES:

O1c2c3-c4c(cc(OC)cc4)C(=O)c4nccc(c34)cc2OC1

InChI:

InChI=1/C18H11NO4/c1-21-10-2-3-11-12(7-10)17(20)16-14-9(4-5-19-16)6-13-18(15(11)14)23-8-22-13/h2-7H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.437 kcal/mol

Physical Properties
Molecular Weight: 305.289 g/mol	logS: -5.01671	SlogP: 3.1835	Reactive groups: 0

Topological Properties
Globularity: 0.0100355	Sterimol/B1: 2.40306	Sterimol/B2: 2.76284	Sterimol/B3: 5.39495
Sterimol/B4: 6.22538	Sterimol/L: 14.7265

Surface and Volume Properties
Accessible surface: 489.997	Positive charged surface: 323.394	Negative charged surface: 144.695	Volume: 267
Hydrophobic surface: 378.124	Hydrophilic surface: 111.873

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.