MMsINC Database Search


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MMsINC code: MMs02348561

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

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

InChI:

InChI=1/C23H23NO/c1-24(18-19-8-4-2-5-9-19)17-16-23(25)22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-15H,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7011 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -5.66388	SlogP: 5.3248	Reactive groups: 0

Topological Properties
Globularity: 0.0310522	Sterimol/B1: 2.2662	Sterimol/B2: 4.57984	Sterimol/B3: 4.71034
Sterimol/B4: 5.49209	Sterimol/L: 20.7265

Surface and Volume Properties
Accessible surface: 622.996	Positive charged surface: 368.415	Negative charged surface: 244.366	Volume: 348.25
Hydrophobic surface: 583.496	Hydrophilic surface: 39.5

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02348562
NCID-ZINC01724569