MMsINC Database Search


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MMsINC code: MMs02937089

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

O=C(N(Cc1ccccc1)C(C)C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H23NO/c1-18(2)24(17-19-9-5-3-6-10-19)23(25)22-15-13-21(14-16-22)20-11-7-4-8-12-20/h3-16,18H,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=276.259 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -6.27372	SlogP: 5.6708	Reactive groups: 0

Topological Properties
Globularity: 0.145661	Sterimol/B1: 2.11252	Sterimol/B2: 4.18687	Sterimol/B3: 5.0066
Sterimol/B4: 8.54047	Sterimol/L: 15.5522

Surface and Volume Properties
Accessible surface: 584.333	Positive charged surface: 318.427	Negative charged surface: 253.58	Volume: 343
Hydrophobic surface: 518.424	Hydrophilic surface: 65.909

Pharmacophoric Properties
Hydrogen bond donors: 0	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.