MMsINC Database Search


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MMsINC code: MMs02312270

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

O=C(C(c1ccccc1)c1ccccc1)c1ccccc1CN(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.033 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -5.03307	SlogP: 5.0294	Reactive groups: 0

Topological Properties
Globularity: 0.244571	Sterimol/B1: 3.95612	Sterimol/B2: 5.16513	Sterimol/B3: 5.30861
Sterimol/B4: 6.50215	Sterimol/L: 12.4821

Surface and Volume Properties
Accessible surface: 593.424	Positive charged surface: 391.862	Negative charged surface: 201.561	Volume: 349.25
Hydrophobic surface: 584.126	Hydrophilic surface: 9.298

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

MMs02312271
NCID-ZINC01677215