MMsINC Database Search


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MMsINC code: MMs02900896

Type: Neutral
Formula: C₁₇H₁₀O

SMILES:

O=C1c2c(-c3c1cccc3)c1c(cc2)cccc1

InChI:

InChI=1/C17H10O/c18-17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7618 kcal/mol

Physical Properties
Molecular Weight: 230.266 g/mol	logS: -6.11645	SlogP: 4.0512	Reactive groups: 0

Topological Properties
Globularity: 6.78258e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09941	Sterimol/B3: 3.36496
Sterimol/B4: 6.48486	Sterimol/L: 12.9054

Surface and Volume Properties
Accessible surface: 426.848	Positive charged surface: 195.669	Negative charged surface: 208.459	Volume: 227.25
Hydrophobic surface: 382.712	Hydrophilic surface: 44.136

Pharmacophoric Properties
Hydrogen bond donors: 0	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.