MMsINC Database Search


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MMsINC code: MMs01291337

Type: Neutral
Formula: C₁₇H₁₃NO₅

SMILES:

O(C)c1cc(ccc1)C(OCN1C(=O)c2c(cccc2)C1=O)=O

InChI:

InChI=1/C17H13NO5/c1-22-12-6-4-5-11(9-12)17(21)23-10-18-15(19)13-7-2-3-8-14(13)16(18)20/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4937 kcal/mol

Physical Properties
Molecular Weight: 311.293 g/mol	logS: -3.86668	SlogP: 2.1057	Reactive groups: 0

Topological Properties
Globularity: 0.0742451	Sterimol/B1: 3.04173	Sterimol/B2: 3.72061	Sterimol/B3: 3.7319
Sterimol/B4: 6.50016	Sterimol/L: 16.227

Surface and Volume Properties
Accessible surface: 535.859	Positive charged surface: 330.138	Negative charged surface: 205.721	Volume: 279.125
Hydrophobic surface: 419.688	Hydrophilic surface: 116.171

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.