MMsINC Database Search


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MMsINC code: MMs01938184

Type: Neutral
Formula: C₂₃H₂₆N₂O₃

SMILES:

O(C)c1cc2cc([nH]c2cc1OC)C(=O)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C23H26N2O3/c1-27-21-14-18-13-20(24-19(18)15-22(21)28-2)23(26)25-10-8-17(9-11-25)12-16-6-4-3-5-7-16/h3-7,13-15,17,24H,8-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.784 kcal/mol

Physical Properties
Molecular Weight: 378.472 g/mol	logS: -4.74013	SlogP: 4.27997	Reactive groups: 0

Topological Properties
Globularity: 0.0653662	Sterimol/B1: 2.36249	Sterimol/B2: 5.17983	Sterimol/B3: 5.30046
Sterimol/B4: 6.41718	Sterimol/L: 18.3464

Surface and Volume Properties
Accessible surface: 668.159	Positive charged surface: 473.454	Negative charged surface: 189.883	Volume: 374.125
Hydrophobic surface: 601.102	Hydrophilic surface: 67.057

Pharmacophoric Properties
Hydrogen bond donors: 1	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.