MMsINC Database Search


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MMsINC code: MMs00564110

Type: Neutral
Formula: C₂₇H₂₄N₂O

SMILES:

O(C)c1c2n(C)c(C)c(c2cc2c1nc(cc2-c1ccccc1)-c1ccccc1)C

InChI:

InChI=1/C27H24N2O/c1-17-18(2)29(3)26-21(17)15-23-22(19-11-7-5-8-12-19)16-24(20-13-9-6-10-14-20)28-25(23)27(26)30-4/h5-16H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.832 kcal/mol

Physical Properties
Molecular Weight: 392.502 g/mol	logS: -7.50313	SlogP: 7.04514	Reactive groups: 0

Topological Properties
Globularity: 0.0353711	Sterimol/B1: 2.89371	Sterimol/B2: 3.40009	Sterimol/B3: 6.43202
Sterimol/B4: 8.08319	Sterimol/L: 16.6807

Surface and Volume Properties
Accessible surface: 669.376	Positive charged surface: 404.07	Negative charged surface: 245.293	Volume: 402.125
Hydrophobic surface: 641.405	Hydrophilic surface: 27.971

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.