MMsINC Database Search


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MMsINC code: MMs02491396

Type: Neutral
Formula: C₂₄H₁₄O₂

SMILES:

O=C1c2c(cccc2-c2ccccc2)C(=O)c2c1ccc1c2cccc1

InChI:

InChI=1/C24H14O2/c25-23-19-12-6-11-18(15-7-2-1-3-8-15)21(19)24(26)20-14-13-16-9-4-5-10-17(16)22(20)23/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.559 kcal/mol

Physical Properties
Molecular Weight: 334.374 g/mol	logS: -8.18926	SlogP: 5.2822	Reactive groups: 0

Topological Properties
Globularity: 0.0210737	Sterimol/B1: 2.80341	Sterimol/B2: 2.8399	Sterimol/B3: 2.91529
Sterimol/B4: 8.03791	Sterimol/L: 16.247

Surface and Volume Properties
Accessible surface: 556.495	Positive charged surface: 283.16	Negative charged surface: 258.126	Volume: 321.25
Hydrophobic surface: 513.168	Hydrophilic surface: 43.327

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.