MMsINC Database Search


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MMsINC code: MMs02143483

Type: Neutral
Formula: C₁₇H₁₃NO₄

SMILES:

O(C)c1ccc(cc1)C(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.2621 kcal/mol

Physical Properties
Molecular Weight: 295.294 g/mol	logS: -4.08436	SlogP: 2.1741	Reactive groups: 0

Topological Properties
Globularity: 0.0539188	Sterimol/B1: 2.45445	Sterimol/B2: 3.99598	Sterimol/B3: 3.99912
Sterimol/B4: 4.85305	Sterimol/L: 17.9299

Surface and Volume Properties
Accessible surface: 527.547	Positive charged surface: 303.113	Negative charged surface: 224.433	Volume: 268.875
Hydrophobic surface: 409.792	Hydrophilic surface: 117.755

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.