MMsINC Database Search


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MMsINC code: MMs01406131

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C(=O)c1n(ccc1)C)C(C(=O)N(Cc1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C23H24N2O3/c1-18(28-23(27)21-14-9-15-24(21)2)22(26)25(16-19-10-5-3-6-11-19)17-20-12-7-4-8-13-20/h3-15,18H,16-17H2,1-2H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2984 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.18635	SlogP: 4.6914	Reactive groups: 0

Topological Properties
Globularity: 0.0976226	Sterimol/B1: 2.27713	Sterimol/B2: 5.41	Sterimol/B3: 5.648
Sterimol/B4: 8.37913	Sterimol/L: 16.7996

Surface and Volume Properties
Accessible surface: 648.273	Positive charged surface: 375.807	Negative charged surface: 272.466	Volume: 379
Hydrophobic surface: 547.653	Hydrophilic surface: 100.62

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.