MMsINC Database Search


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MMsINC code: MMs03092463

Type: Neutral
Formula: C₁₇H₁₄O₂

SMILES:

O=C(\C(=C\c1ccccc1)\C(=O)C)c1ccccc1

InChI:

InChI=1/C17H14O2/c1-13(18)16(12-14-8-4-2-5-9-14)17(19)15-10-6-3-7-11-15/h2-12H,1H3/b16-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7973 kcal/mol

Physical Properties
Molecular Weight: 250.297 g/mol	logS: -4.31181	SlogP: 3.5419	Reactive groups: 1

Topological Properties
Globularity: 0.11648	Sterimol/B1: 2.8052	Sterimol/B2: 3.24372	Sterimol/B3: 4.28351
Sterimol/B4: 7.40177	Sterimol/L: 12.5771

Surface and Volume Properties
Accessible surface: 469.425	Positive charged surface: 240.908	Negative charged surface: 228.517	Volume: 253
Hydrophobic surface: 408.368	Hydrophilic surface: 61.057

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.