MMsINC Database Search


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MMsINC code: MMs02095157

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccccc1C)c1ccc(cc1)CC(=O)Nc1cc(cc(c1)C)C

InChI:

InChI=1/C24H23NO3/c1-16-12-17(2)14-20(13-16)25-23(26)15-19-8-10-21(11-9-19)28-24(27)22-7-5-4-6-18(22)3/h4-14H,15H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.333 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.95216	SlogP: 5.01223	Reactive groups: 0

Topological Properties
Globularity: 0.0290305	Sterimol/B1: 2.74823	Sterimol/B2: 3.01369	Sterimol/B3: 4.54062
Sterimol/B4: 6.77355	Sterimol/L: 21.5477

Surface and Volume Properties
Accessible surface: 699.407	Positive charged surface: 426.856	Negative charged surface: 272.55	Volume: 375.125
Hydrophobic surface: 642.737	Hydrophilic surface: 56.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.