MMsINC Database Search


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MMsINC code: MMs00142579

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1N(C(Cc2ccccc2)C(=O)NCc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C24H20N2O3/c27-22(25-16-18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)26-23(28)19-13-7-8-14-20(19)24(26)29/h1-14,21H,15-16H2,(H,25,27)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1854 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.70457	SlogP: 3.47667	Reactive groups: 0

Topological Properties
Globularity: 0.0900197	Sterimol/B1: 2.41367	Sterimol/B2: 3.84016	Sterimol/B3: 4.12427
Sterimol/B4: 9.18862	Sterimol/L: 17.417

Surface and Volume Properties
Accessible surface: 658.106	Positive charged surface: 355.361	Negative charged surface: 302.745	Volume: 370.875
Hydrophobic surface: 570.414	Hydrophilic surface: 87.692

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.