MMsINC Database Search


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MMsINC code: MMs00363830

Type: Neutral
Formula: C₁₄H₁₂N₂O₂

SMILES:

O=C1N(C)C(=O)c2c3c1ccc(NC)c3ccc2

InChI:

InChI=1/C14H12N2O2/c1-15-11-7-6-10-12-8(11)4-3-5-9(12)13(17)16(2)14(10)18/h3-7,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5637 kcal/mol

Physical Properties
Molecular Weight: 240.262 g/mol	logS: -3.60907	SlogP: 2.1073	Reactive groups: 0

Topological Properties
Globularity: 0.0118489	Sterimol/B1: 2.37341	Sterimol/B2: 2.37769	Sterimol/B3: 3.68611
Sterimol/B4: 6.41931	Sterimol/L: 13.4493

Surface and Volume Properties
Accessible surface: 430.442	Positive charged surface: 288.405	Negative charged surface: 130.384	Volume: 227.125
Hydrophobic surface: 344.702	Hydrophilic surface: 85.74

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.