MMsINC Database Search


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MMsINC code: MMs00826263

Type: Neutral
Formula: C₂₀H₁₇NO

SMILES:

O=C(Nc1ccccc1C)c1ccccc1-c1ccccc1

InChI:

InChI=1/C20H17NO/c1-15-9-5-8-14-19(15)21-20(22)18-13-7-6-12-17(18)16-10-3-2-4-11-16/h2-14H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.114 kcal/mol

Physical Properties
Molecular Weight: 287.362 g/mol	logS: -5.94172	SlogP: 4.91432	Reactive groups: 0

Topological Properties
Globularity: 0.0427735	Sterimol/B1: 2.86604	Sterimol/B2: 3.33716	Sterimol/B3: 4.38843
Sterimol/B4: 7.6282	Sterimol/L: 13.1726

Surface and Volume Properties
Accessible surface: 525.154	Positive charged surface: 290.143	Negative charged surface: 231.808	Volume: 295.625
Hydrophobic surface: 505.411	Hydrophilic surface: 19.743

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.