MMsINC Database Search


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MMsINC code: MMs01075303

Type: Neutral
Formula: C₁₇H₁₃NO₄

SMILES:

O1c2cc(ccc2OC1)CN1C(=O)c2c(ccc(c2)C)C1=O

InChI:

InChI=1/C17H13NO4/c1-10-2-4-12-13(6-10)17(20)18(16(12)19)8-11-3-5-14-15(7-11)22-9-21-14/h2-7H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.523 kcal/mol

Physical Properties
Molecular Weight: 295.294 g/mol	logS: -4.13165	SlogP: 2.78632	Reactive groups: 0

Topological Properties
Globularity: 0.0942691	Sterimol/B1: 2.64597	Sterimol/B2: 2.99814	Sterimol/B3: 4.52841
Sterimol/B4: 6.2281	Sterimol/L: 15.7104

Surface and Volume Properties
Accessible surface: 509.145	Positive charged surface: 308.857	Negative charged surface: 200.288	Volume: 267.375
Hydrophobic surface: 378.38	Hydrophilic surface: 130.765

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.