MMsINC Database Search


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MMsINC code: MMs02213998

Type: Neutral
Formula: C₁₄H₁₀N₂O₂

SMILES:

O1c2cc(ccc2OC1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C14H10N2O2/c1-2-4-11-10(3-1)15-14(16-11)9-5-6-12-13(7-9)18-8-17-12/h1-7H,8H2,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4138 kcal/mol

Physical Properties
Molecular Weight: 238.246 g/mol	logS: -4.44534	SlogP: 2.9586	Reactive groups: 0

Topological Properties
Globularity: 0.0051271	Sterimol/B1: 2.33894	Sterimol/B2: 2.66877	Sterimol/B3: 3.87219
Sterimol/B4: 4.46957	Sterimol/L: 15.2239

Surface and Volume Properties
Accessible surface: 451.512	Positive charged surface: 266.694	Negative charged surface: 184.818	Volume: 219.5
Hydrophobic surface: 359.509	Hydrophilic surface: 92.003

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.