MMsINC Database Search


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MMsINC code: MMs02180785

Type: Neutral
Formula: C₁₇H₁₅NO₂

SMILES:

O(C)c1ccc2c(cncc2Cc2ccccc2)c1O

InChI:

InChI=1/C17H15NO2/c1-20-16-8-7-14-13(9-12-5-3-2-4-6-12)10-18-11-15(14)17(16)19/h2-8,10-11,19H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5772 kcal/mol

Physical Properties
Molecular Weight: 265.312 g/mol	logS: -3.49598	SlogP: 3.53977	Reactive groups: 0

Topological Properties
Globularity: 0.099359	Sterimol/B1: 2.70116	Sterimol/B2: 3.25192	Sterimol/B3: 3.78817
Sterimol/B4: 7.34679	Sterimol/L: 13.774

Surface and Volume Properties
Accessible surface: 488.763	Positive charged surface: 333.75	Negative charged surface: 144.752	Volume: 260.875
Hydrophobic surface: 421.807	Hydrophilic surface: 66.956

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.