MMsINC Database Search


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MMsINC code: MMs03240710

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

Oc1cc(O)ccc1C(c1ccc(N(C)C)cc1)c1ncccc1

InChI:

InChI=1/C20H20N2O2/c1-22(2)15-8-6-14(7-9-15)20(18-5-3-4-12-21-18)17-11-10-16(23)13-19(17)24/h3-13,20,23-24H,1-2H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.202 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -2.92856	SlogP: 3.739	Reactive groups: 0

Topological Properties
Globularity: 0.138268	Sterimol/B1: 3.65672	Sterimol/B2: 3.76642	Sterimol/B3: 4.78336
Sterimol/B4: 8.31373	Sterimol/L: 13.9902

Surface and Volume Properties
Accessible surface: 571.859	Positive charged surface: 405.371	Negative charged surface: 166.488	Volume: 320.5
Hydrophobic surface: 468.479	Hydrophilic surface: 103.38

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.