MMsINC Database Search


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MMsINC code: MMs02626958

Type: Neutral
Formula: C₂₀H₂₂N₂O₂

SMILES:

O(C)c1cc2c([nH]c(Cc3ccccc3)c2CCNC(=O)C)cc1

InChI:

InChI=1/C20H22N2O2/c1-14(23)21-11-10-17-18-13-16(24-2)8-9-19(18)22-20(17)12-15-6-4-3-5-7-15/h3-9,13,22H,10-12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2726 kcal/mol

Physical Properties
Molecular Weight: 322.408 g/mol	logS: -3.89597	SlogP: 3.44584	Reactive groups: 0

Topological Properties
Globularity: 0.127686	Sterimol/B1: 2.45508	Sterimol/B2: 3.6682	Sterimol/B3: 4.01684
Sterimol/B4: 12.4265	Sterimol/L: 14.2469

Surface and Volume Properties
Accessible surface: 606.596	Positive charged surface: 397.935	Negative charged surface: 204.494	Volume: 328.5
Hydrophobic surface: 517.989	Hydrophilic surface: 88.607

Pharmacophoric Properties
Hydrogen bond donors: 2	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.