MMsINC Database Search


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MMsINC code: MMs02443638

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

o1c2c(cc(cc2)CO)c2c1cccc2

InChI:

InChI=1/C13H10O2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h1-7,14H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.957 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -4.44791	SlogP: 3.3447	Reactive groups: 0

Topological Properties
Globularity: 0.0163197	Sterimol/B1: 2.26824	Sterimol/B2: 2.44138	Sterimol/B3: 2.86671
Sterimol/B4: 6.11843	Sterimol/L: 13.0005

Surface and Volume Properties
Accessible surface: 403.58	Positive charged surface: 230.484	Negative charged surface: 162.24	Volume: 193.375
Hydrophobic surface: 328.191	Hydrophilic surface: 75.389

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.