MMsINC Database Search


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MMsINC code: MMs01368912

Type: Neutral
Formula: C₂₄H₂₁NO₄

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H21NO4/c1-17(18-10-4-2-5-11-18)25-22(26)16-29-24(28)21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.375 kcal/mol

Physical Properties
Molecular Weight: 387.435 g/mol	logS: -6.1071	SlogP: 4.0473	Reactive groups: 0

Topological Properties
Globularity: 0.0619919	Sterimol/B1: 3.11078	Sterimol/B2: 3.75391	Sterimol/B3: 5.11128
Sterimol/B4: 8.53946	Sterimol/L: 17.4338

Surface and Volume Properties
Accessible surface: 685.72	Positive charged surface: 385.296	Negative charged surface: 300.424	Volume: 378.625
Hydrophobic surface: 577.593	Hydrophilic surface: 108.127

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.