MMsINC Database Search


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MMsINC code: MMs02249360

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

O(C)c1cc2c3cc(ccc3ccc2cc1)C(=O)C

InChI:

InChI=1/C17H14O2/c1-11(18)14-6-5-12-3-4-13-7-8-15(19-2)10-17(13)16(12)9-14/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2538 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -5.50329	SlogP: 4.2042	Reactive groups: 0

Topological Properties
Globularity: 0.00793965	Sterimol/B1: 2.37493	Sterimol/B2: 2.3759	Sterimol/B3: 2.9694
Sterimol/B4: 7.00201	Sterimol/L: 14.0462

Surface and Volume Properties
Accessible surface: 473.554	Positive charged surface: 266.324	Negative charged surface: 185.087	Volume: 252.25
Hydrophobic surface: 423.278	Hydrophilic surface: 50.276

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.