MMsINC Database Search


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MMsINC code: MMs02770037

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(Cc1ccccc1)c1cc(ccc1)C(=O)Nc1ccccc1C(CC)C

InChI:

InChI=1/C24H25NO2/c1-3-18(2)22-14-7-8-15-23(22)25-24(26)20-12-9-13-21(16-20)27-17-19-10-5-4-6-11-19/h4-16,18H,3,17H2,1-2H3,(H,25,26)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.317 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -6.87928	SlogP: 6.2978	Reactive groups: 0

Topological Properties
Globularity: 0.0439696	Sterimol/B1: 1.969	Sterimol/B2: 2.86528	Sterimol/B3: 4.92874
Sterimol/B4: 8.78308	Sterimol/L: 19.158

Surface and Volume Properties
Accessible surface: 678.929	Positive charged surface: 397.952	Negative charged surface: 280.977	Volume: 373.25
Hydrophobic surface: 599.121	Hydrophilic surface: 79.808

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

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Ions/Tautomers related molecules: no related molecules available.