MMsINC Database Search


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MMsINC code: MMs00634783

Type: Neutral
Formula: C₂₃H₂₅NO₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)CNc1cccc(C)c1C

InChI:

InChI=1/C23H25NO2/c1-17-8-7-11-21(18(17)2)24-15-20-12-13-22(23(14-20)25-3)26-16-19-9-5-4-6-10-19/h4-14,24H,15-16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.537 kcal/mol

Physical Properties
Molecular Weight: 347.458 g/mol	logS: -5.45229	SlogP: 6.03594	Reactive groups: 0

Topological Properties
Globularity: 0.070489	Sterimol/B1: 2.3551	Sterimol/B2: 4.27406	Sterimol/B3: 4.63968
Sterimol/B4: 6.77773	Sterimol/L: 20.3698

Surface and Volume Properties
Accessible surface: 681.585	Positive charged surface: 435.746	Negative charged surface: 245.839	Volume: 362.375
Hydrophobic surface: 655.708	Hydrophilic surface: 25.877

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.