MMsINC Database Search


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MMsINC code: MMs03540718

Type: Neutral
Formula: C₁₅H₇NO₄

SMILES:

O1c2c3c(ccc4c3c(ccc4)C1=O)c([N+](=O)[O-])cc2

InChI:

InChI=1/C15H7NO4/c17-15-10-3-1-2-8-4-5-9-11(16(18)19)6-7-12(20-15)14(9)13(8)10/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.955 kcal/mol

Physical Properties
Molecular Weight: 265.224 g/mol	logS: -6.81117	SlogP: 3.4338	Reactive groups: 0

Topological Properties
Globularity: 0.0070097	Sterimol/B1: 2.25773	Sterimol/B2: 2.62386	Sterimol/B3: 4.1496
Sterimol/B4: 5.72468	Sterimol/L: 12.8533

Surface and Volume Properties
Accessible surface: 418.135	Positive charged surface: 163.515	Negative charged surface: 234.146	Volume: 222.25
Hydrophobic surface: 281.94	Hydrophilic surface: 136.195

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.