MMsINC Database Search


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MMsINC code: MMs03287608

Type: Neutral
Formula: C₂₉H₂₉NO

SMILES:

Oc1c(cc(cc1N)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C

InChI:

InChI=1/C29H29NO/c1-28(2,3)25-19-24(20-26(30)27(25)31)29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-20,31H,30H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=216.274 kcal/mol

Physical Properties
Molecular Weight: 407.557 g/mol	logS: -7.85124	SlogP: 6.6546	Reactive groups: 0

Topological Properties
Globularity: 0.419063	Sterimol/B1: 3.7714	Sterimol/B2: 5.86277	Sterimol/B3: 6.10975
Sterimol/B4: 7.80712	Sterimol/L: 13.526

Surface and Volume Properties
Accessible surface: 652.249	Positive charged surface: 408.772	Negative charged surface: 243.477	Volume: 423
Hydrophobic surface: 521.554	Hydrophilic surface: 130.695

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.