MMsINC Database Search


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MMsINC code: MMs00287825

Type: Neutral
Formula: C₃₀H₂₃NO

SMILES:

O1c2c(-c3c(n(Cc4ccccc4)c(c3)-c3ccccc3)C1c1ccccc1)cccc2

InChI:

InChI=1/C30H23NO/c1-4-12-22(13-5-1)21-31-27(23-14-6-2-7-15-23)20-26-25-18-10-11-19-28(25)32-30(29(26)31)24-16-8-3-9-17-24/h1-20,30H,21H2/t30-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.091 kcal/mol

Physical Properties
Molecular Weight: 413.52 g/mol	logS: -8.40517	SlogP: 7.7141	Reactive groups: 0

Topological Properties
Globularity: 0.284409	Sterimol/B1: 2.34264	Sterimol/B2: 3.04925	Sterimol/B3: 8.09705
Sterimol/B4: 8.09803	Sterimol/L: 14.7311

Surface and Volume Properties
Accessible surface: 661.824	Positive charged surface: 355.358	Negative charged surface: 306.466	Volume: 420.125
Hydrophobic surface: 636.996	Hydrophilic surface: 24.828

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.