MMsINC Database Search


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MMsINC code: MMs02896414

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

OCc1ccc(cc1)\C=C\c1ccccc1

InChI:

InChI=1/C15H14O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,16H,12H2/b7-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9928 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -4.03008	SlogP: 3.6157	Reactive groups: 0

Topological Properties
Globularity: 0.00855348	Sterimol/B1: 2.32755	Sterimol/B2: 2.84119	Sterimol/B3: 3.8323
Sterimol/B4: 3.97788	Sterimol/L: 16.0413

Surface and Volume Properties
Accessible surface: 467.326	Positive charged surface: 255.947	Negative charged surface: 211.379	Volume: 226.25
Hydrophobic surface: 402.374	Hydrophilic surface: 64.952

Pharmacophoric Properties
Hydrogen bond donors: 1	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.