MMsINC Database Search


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MMsINC code: MMs02908187

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(CC(=O)N1CCCc2c1cccc2)c1nccc2c1cccc2

InChI:

InChI=1/C20H18N2O2/c23-19(22-13-5-8-16-7-2-4-10-18(16)22)14-24-20-17-9-3-1-6-15(17)11-12-21-20/h1-4,6-7,9-12H,5,8,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.365 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -4.64234	SlogP: 3.59297	Reactive groups: 0

Topological Properties
Globularity: 0.0114256	Sterimol/B1: 2.88918	Sterimol/B2: 3.08112	Sterimol/B3: 3.64792
Sterimol/B4: 6.65343	Sterimol/L: 16.8596

Surface and Volume Properties
Accessible surface: 568.28	Positive charged surface: 363.527	Negative charged surface: 193.813	Volume: 309.625
Hydrophobic surface: 527.153	Hydrophilic surface: 41.127

Pharmacophoric Properties
Hydrogen bond donors: 0	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.