MMsINC Database Search


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MMsINC code: MMs01286383

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(CC(=O)N(Cc1ccccc1)c1ncccc1)c1ccc(cc1)C(C)C

InChI:

InChI=1/C23H24N2O2/c1-18(2)20-11-13-21(14-12-20)27-17-23(26)25(22-10-6-7-15-24-22)16-19-8-4-3-5-9-19/h3-15,18H,16-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2915 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.65108	SlogP: 5.0836	Reactive groups: 0

Topological Properties
Globularity: 0.0944696	Sterimol/B1: 3.49951	Sterimol/B2: 4.41964	Sterimol/B3: 5.64717
Sterimol/B4: 6.15444	Sterimol/L: 17.18

Surface and Volume Properties
Accessible surface: 663.211	Positive charged surface: 416.966	Negative charged surface: 246.245	Volume: 372.25
Hydrophobic surface: 581.321	Hydrophilic surface: 81.89

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.