MMsINC Database Search


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MMsINC code: MMs00103492

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

o1c2c(cccc2)c(C)c1C(=O)Nc1cccnc1

InChI:

InChI=1/C15H12N2O2/c1-10-12-6-2-3-7-13(12)19-14(10)15(18)17-11-5-4-8-16-9-11/h2-9H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9172 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -3.85545	SlogP: 3.38852	Reactive groups: 0

Topological Properties
Globularity: 0.0134799	Sterimol/B1: 1.969	Sterimol/B2: 2.34551	Sterimol/B3: 2.88529
Sterimol/B4: 6.94374	Sterimol/L: 16.0047

Surface and Volume Properties
Accessible surface: 474.404	Positive charged surface: 304.669	Negative charged surface: 164.083	Volume: 239.625
Hydrophobic surface: 415.324	Hydrophilic surface: 59.08

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.