MMsINC Database Search


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MMsINC code: MMs00599500

Type: Neutral
Formula: C₁₄H₁₀N₂O₃

SMILES:

O=C1N(NC(=O)C)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C14H10N2O3/c1-8(17)15-16-13(18)10-6-2-4-9-5-3-7-11(12(9)10)14(16)19/h2-7H,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4259 kcal/mol

Physical Properties
Molecular Weight: 254.245 g/mol	logS: -4.10446	SlogP: 1.4869	Reactive groups: 0

Topological Properties
Globularity: 0.0280648	Sterimol/B1: 2.98846	Sterimol/B2: 3.03026	Sterimol/B3: 4.87893
Sterimol/B4: 4.89039	Sterimol/L: 13.1624

Surface and Volume Properties
Accessible surface: 438.163	Positive charged surface: 226.839	Negative charged surface: 202.943	Volume: 226.25
Hydrophobic surface: 318.69	Hydrophilic surface: 119.473

Pharmacophoric Properties
Hydrogen bond donors: 1	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.