MMsINC Database Search


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MMsINC code: MMs03154131

Type: Neutral
Formula: C₂₅H₂₅N₃O

SMILES:

O(c1cc(ccc1)CNc1ncc(n1C)-c1cc(C)c(cc1)C)c1ccccc1

InChI:

InChI=1/C25H25N3O/c1-18-12-13-21(14-19(18)2)24-17-27-25(28(24)3)26-16-20-8-7-11-23(15-20)29-22-9-5-4-6-10-22/h4-15,17H,16H2,1-3H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.728 kcal/mol

Physical Properties
Molecular Weight: 383.495 g/mol	logS: -7.17494	SlogP: 6.73394	Reactive groups: 0

Topological Properties
Globularity: 0.032951	Sterimol/B1: 3.13718	Sterimol/B2: 3.9715	Sterimol/B3: 4.38293
Sterimol/B4: 5.87743	Sterimol/L: 22.5695

Surface and Volume Properties
Accessible surface: 709.174	Positive charged surface: 454.262	Negative charged surface: 254.913	Volume: 395
Hydrophobic surface: 666.32	Hydrophilic surface: 42.854

Pharmacophoric Properties
Hydrogen bond donors: 1	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.