MMsINC Database Search


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MMsINC code: MMs00149091

Type: Neutral
Formula: C₂₄H₂₄N₂O₂

SMILES:

O=C(NCc1cc(ccc1)CNC(=O)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C24H24N2O2/c27-23(15-19-8-3-1-4-9-19)25-17-21-12-7-13-22(14-21)18-26-24(28)16-20-10-5-2-6-11-20/h1-14H,15-18H2,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9363 kcal/mol

Physical Properties
Molecular Weight: 372.468 g/mol	logS: -5.33588	SlogP: 3.93714	Reactive groups: 0

Topological Properties
Globularity: 0.0222495	Sterimol/B1: 2.90077	Sterimol/B2: 3.25611	Sterimol/B3: 3.69869
Sterimol/B4: 8.68487	Sterimol/L: 22.1847

Surface and Volume Properties
Accessible surface: 726.433	Positive charged surface: 444.977	Negative charged surface: 281.456	Volume: 382.25
Hydrophobic surface: 632.328	Hydrophilic surface: 94.105

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.