MMsINC Database Search


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MMsINC code: MMs01179077

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O1CCCOc2c1cc(cc2)C(=O)N(Cc1ccncc1)CCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c27-24(21-7-8-22-23(17-21)29-16-4-15-28-22)26(18-20-9-12-25-13-10-20)14-11-19-5-2-1-3-6-19/h1-3,5-10,12-13,17H,4,11,14-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=177.954 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -4.21552	SlogP: 4.39437	Reactive groups: 0

Topological Properties
Globularity: 0.0653569	Sterimol/B1: 2.45334	Sterimol/B2: 2.94354	Sterimol/B3: 4.37313
Sterimol/B4: 12.3566	Sterimol/L: 15.8107

Surface and Volume Properties
Accessible surface: 633.506	Positive charged surface: 439.621	Negative charged surface: 193.885	Volume: 381.25
Hydrophobic surface: 566.81	Hydrophilic surface: 66.696

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.