MMsINC Database Search


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MMsINC code: MMs01753590

Type: Neutral
Formula: C₂₀H₂₀N₂O₃

SMILES:

O(C)c1cc2c(N(CC(=O)NCc3ccccc3)C(=CC2=O)C)cc1

InChI:

InChI=1/C20H20N2O3/c1-14-10-19(23)17-11-16(25-2)8-9-18(17)22(14)13-20(24)21-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2066 kcal/mol

Physical Properties
Molecular Weight: 336.391 g/mol	logS: -4.33562	SlogP: 3.1845	Reactive groups: 1

Topological Properties
Globularity: 0.0358588	Sterimol/B1: 2.48732	Sterimol/B2: 2.65505	Sterimol/B3: 3.66128
Sterimol/B4: 9.55301	Sterimol/L: 16.587

Surface and Volume Properties
Accessible surface: 606.278	Positive charged surface: 372.089	Negative charged surface: 234.189	Volume: 329.875
Hydrophobic surface: 510.302	Hydrophilic surface: 95.976

Pharmacophoric Properties
Hydrogen bond donors: 1	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.