MMsINC Database Search


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MMsINC code: MMs01110115

Type: Neutral
Formula: C₃₀H₃₀N₂O

SMILES:

O(Cc1ccccc1)c1ccccc1C1N(CCN1Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C30H30N2O/c1-4-12-25(13-5-1)22-31-20-21-32(23-26-14-6-2-7-15-26)30(31)28-18-10-11-19-29(28)33-24-27-16-8-3-9-17-27/h1-19,30H,20-24H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.825 kcal/mol

Physical Properties
Molecular Weight: 434.583 g/mol	logS: -6.53787	SlogP: 7.1769	Reactive groups: 0

Topological Properties
Globularity: 0.256493	Sterimol/B1: 2.47486	Sterimol/B2: 3.91351	Sterimol/B3: 7.21504
Sterimol/B4: 11.7665	Sterimol/L: 17.3093

Surface and Volume Properties
Accessible surface: 743.965	Positive charged surface: 452.009	Negative charged surface: 291.956	Volume: 455
Hydrophobic surface: 727.728	Hydrophilic surface: 16.237

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.