MMsINC Database Search


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MMsINC code: MMs01288367

Type: Neutral
Formula: C₁₆H₁₁NO₅

SMILES:

Oc1cc(O)ccc1C(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C16H11NO5/c18-9-5-6-12(13(19)7-9)14(20)8-17-15(21)10-3-1-2-4-11(10)16(17)22/h1-7,18-19H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8479 kcal/mol

Physical Properties
Molecular Weight: 297.266 g/mol	logS: -3.31008	SlogP: 1.5767	Reactive groups: 0

Topological Properties
Globularity: 0.067814	Sterimol/B1: 3.10751	Sterimol/B2: 3.69647	Sterimol/B3: 4.16191
Sterimol/B4: 4.88423	Sterimol/L: 16.4658

Surface and Volume Properties
Accessible surface: 507.618	Positive charged surface: 275.396	Negative charged surface: 232.223	Volume: 259.875
Hydrophobic surface: 313.138	Hydrophilic surface: 194.48

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.