MMsINC Database Search


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MMsINC code: MMs02309673

Type: Ionized
Formula: C₂₀H₁₃O₂-

SMILES:

O=C([O-])C1c2c(-c3c1cccc3)c(ccc2)-c1ccccc1

InChI:

InChI=1/C20H14O2/c21-20(22)19-16-10-5-4-9-15(16)18-14(11-6-12-17(18)19)13-7-2-1-3-8-13/h1-12,19H,(H,21,22)/p-1/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.572 kcal/mol

Physical Properties
Molecular Weight: 285.322 g/mol	logS: -6.52592	SlogP: 3.2158	Reactive groups: 0

Topological Properties
Globularity: 0.11419	Sterimol/B1: 3.67632	Sterimol/B2: 3.81553	Sterimol/B3: 5.06782
Sterimol/B4: 6.68023	Sterimol/L: 13.8718

Surface and Volume Properties
Accessible surface: 505.65	Positive charged surface: 253.421	Negative charged surface: 245.076	Volume: 282
Hydrophobic surface: 427.656	Hydrophilic surface: 77.994

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs02309672
NCID-ZINC01673911