MMsINC Database Search


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MMsINC code: MMs01902303

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C)c1cc(OC)ccc1C(=O)N1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C20H24N2O3/c1-24-17-8-9-18(19(14-17)25-2)20(23)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.26 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.34041	SlogP: 2.9282	Reactive groups: 0

Topological Properties
Globularity: 0.0571352	Sterimol/B1: 2.11327	Sterimol/B2: 3.19509	Sterimol/B3: 4.23561
Sterimol/B4: 8.23301	Sterimol/L: 18.4561

Surface and Volume Properties
Accessible surface: 619.195	Positive charged surface: 465.232	Negative charged surface: 153.963	Volume: 339.125
Hydrophobic surface: 567.351	Hydrophilic surface: 51.844

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs01902304
IBS-ZINC04860441