MMsINC Database Search


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MMsINC code: MMs00600138

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

o1c2c(nc1-c1ccc(N)cc1)c(cc(c2)C)C

InChI:

InChI=1/C15H14N2O/c1-9-7-10(2)14-13(8-9)18-15(17-14)11-3-5-12(16)6-4-11/h3-8H,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.3584 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -5.05582	SlogP: 3.69384	Reactive groups: 0

Topological Properties
Globularity: 0.00649893	Sterimol/B1: 2.51214	Sterimol/B2: 2.51515	Sterimol/B3: 2.52932
Sterimol/B4: 6.29654	Sterimol/L: 15.5969

Surface and Volume Properties
Accessible surface: 482.761	Positive charged surface: 299.327	Negative charged surface: 183.434	Volume: 238.5
Hydrophobic surface: 390.937	Hydrophilic surface: 91.824

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