MMsINC Database Search


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MMsINC code: MMs02460036

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O1CCN(CC1)Cc1ccc(cc1)C(O)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H25NO2/c26-24(21-7-3-1-4-8-21,22-9-5-2-6-10-22)23-13-11-20(12-14-23)19-25-15-17-27-18-16-25/h1-14,26H,15-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.772 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -4.85463	SlogP: 4.3809	Reactive groups: 0

Topological Properties
Globularity: 0.143754	Sterimol/B1: 2.70651	Sterimol/B2: 3.00601	Sterimol/B3: 6.09754
Sterimol/B4: 9.03759	Sterimol/L: 15.6141

Surface and Volume Properties
Accessible surface: 626.122	Positive charged surface: 420.977	Negative charged surface: 205.145	Volume: 366.625
Hydrophobic surface: 584.334	Hydrophilic surface: 41.788

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02460037
NCID-ZINC05410591