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MMsINC code: MMs01330423

Type: Neutral
Formula: C₃₀H₂₉NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)Nc1ccccc1-c1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C30H29NO2/c1-30(2,3)25-17-19-26(20-18-25)33-21-22-13-15-24(16-14-22)29(32)31-28-12-8-7-11-27(28)23-9-5-4-6-10-23/h4-20H,21H2,1-3H3,(H,31,32)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.338 kcal/mol

Physical Properties
Molecular Weight: 435.567 g/mol	logS: -9.61911	SlogP: 7.7488	Reactive groups: 0

Topological Properties
Globularity: 0.0334761	Sterimol/B1: 2.41375	Sterimol/B2: 4.98462	Sterimol/B3: 5.22515
Sterimol/B4: 6.58984	Sterimol/L: 22.4534

Surface and Volume Properties
Accessible surface: 779.603	Positive charged surface: 451.142	Negative charged surface: 324.805	Volume: 451.5
Hydrophobic surface: 689.36	Hydrophilic surface: 90.243

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.