MMsINC Database Search


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MMsINC code: MMs00448892

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

OC(c1ccc(cc1)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9219 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -5.35018	SlogP: 4.5308	Reactive groups: 0

Topological Properties
Globularity: 0.0988382	Sterimol/B1: 3.38707	Sterimol/B2: 3.60447	Sterimol/B3: 4.03303
Sterimol/B4: 5.11565	Sterimol/L: 15.3273

Surface and Volume Properties
Accessible surface: 509.611	Positive charged surface: 245.065	Negative charged surface: 253.475	Volume: 274
Hydrophobic surface: 470.334	Hydrophilic surface: 39.277

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.