MMsINC Database Search


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MMsINC code: MMs03699121

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C24H23NO3/c1-28-24(27)21(17-18-11-5-2-6-12-18)25-23(26)22(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21-22H,17H2,1H3,(H,25,26)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.988 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.47248	SlogP: 3.71897	Reactive groups: 0

Topological Properties
Globularity: 0.34146	Sterimol/B1: 2.0051	Sterimol/B2: 3.05194	Sterimol/B3: 7.61139
Sterimol/B4: 10.4239	Sterimol/L: 13.5564

Surface and Volume Properties
Accessible surface: 654.494	Positive charged surface: 403.836	Negative charged surface: 250.659	Volume: 374.625
Hydrophobic surface: 615.234	Hydrophilic surface: 39.26

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.