MMsINC Database Search


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MMsINC code: MMs02698185

Type: Neutral
Formula: C₂₀H₂₅NO₂

SMILES:

O(C(=O)c1ccc(N(C)C)cc1)Cc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H25NO2/c1-20(2,3)17-10-6-15(7-11-17)14-23-19(22)16-8-12-18(13-9-16)21(4)5/h6-13H,14H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.436 kcal/mol

Physical Properties
Molecular Weight: 311.425 g/mol	logS: -5.4815	SlogP: 4.6735	Reactive groups: 0

Topological Properties
Globularity: 0.0402468	Sterimol/B1: 2.89595	Sterimol/B2: 4.33973	Sterimol/B3: 4.49382
Sterimol/B4: 5.06439	Sterimol/L: 18.8821

Surface and Volume Properties
Accessible surface: 613.496	Positive charged surface: 425.236	Negative charged surface: 188.26	Volume: 331.625
Hydrophobic surface: 518.684	Hydrophilic surface: 94.812

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.