MMsINC Database Search


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MMsINC code: MMs03494770

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O=C1N(OC)C2=C3N(c4c(C3=C1)cccc4)C(=O)C=C2

InChI:

InChI=1/C15H10N2O3/c1-20-17-12-6-7-13(18)16-11-5-3-2-4-9(11)10(15(12)16)8-14(17)19/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.84 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -3.88035	SlogP: 1.6016	Reactive groups: 0

Topological Properties
Globularity: 0.0212275	Sterimol/B1: 2.09084	Sterimol/B2: 3.08696	Sterimol/B3: 4.19984
Sterimol/B4: 5.73385	Sterimol/L: 13.857

Surface and Volume Properties
Accessible surface: 441.779	Positive charged surface: 250.124	Negative charged surface: 191.655	Volume: 238
Hydrophobic surface: 348.553	Hydrophilic surface: 93.226

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.