MMsINC Database Search


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MMsINC code: MMs02047906

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O(C(=O)c1ccccc1C)c1ccc(cc1)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C24H19NO4/c1-16-6-2-3-7-19(16)24(28)29-18-12-10-17(11-13-18)14-15-25-22(26)20-8-4-5-9-21(20)23(25)27/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.902 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.35208	SlogP: 4.05289	Reactive groups: 0

Topological Properties
Globularity: 0.0349874	Sterimol/B1: 2.22159	Sterimol/B2: 2.37906	Sterimol/B3: 5.09473
Sterimol/B4: 5.52443	Sterimol/L: 22.2132

Surface and Volume Properties
Accessible surface: 666.324	Positive charged surface: 372.896	Negative charged surface: 293.428	Volume: 368
Hydrophobic surface: 571.386	Hydrophilic surface: 94.938

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.