MMsINC Database Search


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MMsINC code: MMs02345011

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(c1ccccc1CN(C(=O)C)c1ccccc1)c1ccccc1)C(=O)C

InChI:

InChI=1/C24H23NO3/c1-18(26)25(22-14-7-4-8-15-22)17-21-13-9-10-16-23(21)24(28-19(2)27)20-11-5-3-6-12-20/h3-16,24H,17H2,1-2H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.598 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.41323	SlogP: 5.2541	Reactive groups: 0

Topological Properties
Globularity: 0.203014	Sterimol/B1: 2.48465	Sterimol/B2: 2.50864	Sterimol/B3: 6.15381
Sterimol/B4: 9.29923	Sterimol/L: 14.6849

Surface and Volume Properties
Accessible surface: 637.797	Positive charged surface: 349.315	Negative charged surface: 288.482	Volume: 375.875
Hydrophobic surface: 573.707	Hydrophilic surface: 64.09

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.