MMsINC Database Search


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MMsINC code: MMs02957716

Type: Neutral
Formula: C₁₇H₂₀N₂O₄

SMILES:

O(C)c1c(OC)cc(NC(=O)Nc2ccccc2C)cc1OC

InChI:

InChI=1/C17H20N2O4/c1-11-7-5-6-8-13(11)19-17(20)18-12-9-14(21-2)16(23-4)15(10-12)22-3/h5-10H,1-4H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.175 kcal/mol

Physical Properties
Molecular Weight: 316.357 g/mol	logS: -3.56366	SlogP: 3.66482	Reactive groups: 0

Topological Properties
Globularity: 0.0673626	Sterimol/B1: 2.16024	Sterimol/B2: 3.61127	Sterimol/B3: 5.67347
Sterimol/B4: 7.42855	Sterimol/L: 16.5468

Surface and Volume Properties
Accessible surface: 586.759	Positive charged surface: 448.16	Negative charged surface: 138.6	Volume: 303.625
Hydrophobic surface: 520.11	Hydrophilic surface: 66.649

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.