MMsINC Database Search


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MMsINC code: MMs02637251

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C)c1ccccc1C1N(CCc2c1[nH]c1c2cccc1)C(=O)C

InChI:

InChI=1/C20H20N2O2/c1-13(23)22-12-11-15-14-7-3-5-9-17(14)21-19(15)20(22)16-8-4-6-10-18(16)24-2/h3-10,20-21H,11-12H2,1-2H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1395 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.87735	SlogP: 3.76597	Reactive groups: 0

Topological Properties
Globularity: 0.136528	Sterimol/B1: 2.06964	Sterimol/B2: 3.42692	Sterimol/B3: 3.90555
Sterimol/B4: 8.85804	Sterimol/L: 14.5783

Surface and Volume Properties
Accessible surface: 548.253	Positive charged surface: 363.514	Negative charged surface: 180.339	Volume: 316.5
Hydrophobic surface: 501.251	Hydrophilic surface: 47.002

Pharmacophoric Properties
Hydrogen bond donors: 1	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.