MMsINC Database Search


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MMsINC code: MMs02247427

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

O(C)c1cc2c(Cc3c(cccc3)C2=O)cc1

InChI:

InChI=1/C15H12O2/c1-17-12-7-6-11-8-10-4-2-3-5-13(10)15(16)14(11)9-12/h2-7,9H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9261 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -3.97895	SlogP: 2.83037	Reactive groups: 0

Topological Properties
Globularity: 0.0183487	Sterimol/B1: 2.38525	Sterimol/B2: 3.18859	Sterimol/B3: 4.03838
Sterimol/B4: 4.36724	Sterimol/L: 14.4709

Surface and Volume Properties
Accessible surface: 430.12	Positive charged surface: 272.55	Negative charged surface: 157.57	Volume: 220
Hydrophobic surface: 383.414	Hydrophilic surface: 46.706

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.