MMsINC Database Search


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MMsINC code: MMs00166333

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O(C)c1cc(ccc1OC)Cn1c2c(nc1CC)cccc2

InChI:

InChI=1/C18H20N2O2/c1-4-18-19-14-7-5-6-8-15(14)20(18)12-13-9-10-16(21-2)17(11-13)22-3/h5-11H,4,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3022 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.76131	SlogP: 3.93057	Reactive groups: 0

Topological Properties
Globularity: 0.132223	Sterimol/B1: 2.53879	Sterimol/B2: 3.11834	Sterimol/B3: 4.4898
Sterimol/B4: 9.25753	Sterimol/L: 13.6334

Surface and Volume Properties
Accessible surface: 537.322	Positive charged surface: 387.354	Negative charged surface: 149.967	Volume: 300.25
Hydrophobic surface: 464.641	Hydrophilic surface: 72.681

Pharmacophoric Properties
Hydrogen bond donors: 0	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.