MMsINC Database Search


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MMsINC code: MMs03286344

Type: Neutral
Formula: C₁₆H₁₃NO₄

SMILES:

O1c2c(OC1)cc1N(c3c(cccc3)C(=O)c1c2OC)C

InChI:

InChI=1/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.474 kcal/mol

Physical Properties
Molecular Weight: 283.283 g/mol	logS: -3.56894	SlogP: 2.7362	Reactive groups: 0

Topological Properties
Globularity: 0.0304631	Sterimol/B1: 1.98148	Sterimol/B2: 2.70042	Sterimol/B3: 2.79426
Sterimol/B4: 8.39025	Sterimol/L: 14.1357

Surface and Volume Properties
Accessible surface: 473.106	Positive charged surface: 340.95	Negative charged surface: 132.157	Volume: 255.375
Hydrophobic surface: 388.168	Hydrophilic surface: 84.938

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: no related molecules available.