MMsINC Database Search


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MMsINC code: MMs02698179

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

O(Cc1cc2c(cc1)cccc2)C(=O)Cc1ccccc1

InChI:

InChI=1/C19H16O2/c20-19(13-15-6-2-1-3-7-15)21-14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3348 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.47386	SlogP: 4.39207	Reactive groups: 1

Topological Properties
Globularity: 0.0270688	Sterimol/B1: 2.97344	Sterimol/B2: 3.49097	Sterimol/B3: 3.91254
Sterimol/B4: 4.57865	Sterimol/L: 18.3495

Surface and Volume Properties
Accessible surface: 546.497	Positive charged surface: 307.751	Negative charged surface: 228.728	Volume: 281.25
Hydrophobic surface: 508.932	Hydrophilic surface: 37.565

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.