MMsINC Database Search


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MMsINC code: MMs00137710

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

O(Cc1[nH]c2c(n1)cc(cc2)C)c1ccccc1

InChI:

InChI=1/C15H14N2O/c1-11-7-8-13-14(9-11)17-15(16-13)10-18-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.7127 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -3.9286	SlogP: 3.71672	Reactive groups: 0

Topological Properties
Globularity: 0.00533633	Sterimol/B1: 2.37468	Sterimol/B2: 2.51216	Sterimol/B3: 3.10314
Sterimol/B4: 4.77548	Sterimol/L: 16.9421

Surface and Volume Properties
Accessible surface: 493.62	Positive charged surface: 293.192	Negative charged surface: 200.429	Volume: 240.875
Hydrophobic surface: 438.836	Hydrophilic surface: 54.784

Pharmacophoric Properties
Hydrogen bond donors: 2	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.