MMsINC Database Search


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MMsINC code: MMs01164628

Type: Neutral
Formula: C₂₄H₂₈N₂O₃

SMILES:

O(C)c1ccccc1C(=O)N(Cc1n(ccc1)Cc1ccc(cc1)C)CCOC

InChI:

InChI=1/C24H28N2O3/c1-19-10-12-20(13-11-19)17-25-14-6-7-21(25)18-26(15-16-28-2)24(27)22-8-4-5-9-23(22)29-3/h4-14H,15-18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.458 kcal/mol

Physical Properties
Molecular Weight: 392.499 g/mol	logS: -4.11791	SlogP: 4.67502	Reactive groups: 0

Topological Properties
Globularity: 0.164113	Sterimol/B1: 2.22898	Sterimol/B2: 2.78654	Sterimol/B3: 6.46525
Sterimol/B4: 7.46753	Sterimol/L: 16.135

Surface and Volume Properties
Accessible surface: 638.336	Positive charged surface: 460.376	Negative charged surface: 177.96	Volume: 401.625
Hydrophobic surface: 580.252	Hydrophilic surface: 58.084

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.