MMsINC Database Search


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MMsINC code: MMs00091584

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O1c2c(N(Cc3cc(OC)c(OC)cc3)C1=O)cccc2

InChI:

InChI=1/C16H15NO4/c1-19-14-8-7-11(9-15(14)20-2)10-17-12-5-3-4-6-13(12)21-16(17)18/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3536 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.92503	SlogP: 3.4892	Reactive groups: 0

Topological Properties
Globularity: 0.12235	Sterimol/B1: 2.38125	Sterimol/B2: 4.97448	Sterimol/B3: 5.08319
Sterimol/B4: 6.23456	Sterimol/L: 14.3026

Surface and Volume Properties
Accessible surface: 505.402	Positive charged surface: 348.127	Negative charged surface: 157.275	Volume: 267.625
Hydrophobic surface: 417.229	Hydrophilic surface: 88.173

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.