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MMsINC code: MMs02137784

Type: Neutral
Formula: C₁₆H₁₄O₂

SMILES:

OC(=O)C1Cc2c(-c3c(C1)cccc3)cccc2

InChI:

InChI=1/C16H14O2/c17-16(18)13-9-11-5-1-3-7-14(11)15-8-4-2-6-12(15)10-13/h1-8,13H,9-10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3063 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -3.78248	SlogP: 3.15294	Reactive groups: 0

Topological Properties
Globularity: 0.143473	Sterimol/B1: 2.91339	Sterimol/B2: 3.12042	Sterimol/B3: 3.59997
Sterimol/B4: 7.38295	Sterimol/L: 11.4241

Surface and Volume Properties
Accessible surface: 433.648	Positive charged surface: 253.271	Negative charged surface: 177.588	Volume: 233.5
Hydrophobic surface: 353.116	Hydrophilic surface: 80.532

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02137785
MAYBRIDGE-ZINC00133350