MMsINC Database Search


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MMsINC code: MMs02844761

Type: Neutral
Formula: C₁₈H₂₄N₂O

SMILES:

OC(C(NCc1ccc(N(C)C)cc1)C)c1ccccc1

InChI:

InChI=1/C18H24N2O/c1-14(18(21)16-7-5-4-6-8-16)19-13-15-9-11-17(12-10-15)20(2)3/h4-12,14,18-19,21H,13H2,1-3H3/t14-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3176 kcal/mol

Physical Properties
Molecular Weight: 284.403 g/mol	logS: -2.94536	SlogP: 3.3262	Reactive groups: 0

Topological Properties
Globularity: 0.0347239	Sterimol/B1: 2.10804	Sterimol/B2: 2.70772	Sterimol/B3: 4.38264
Sterimol/B4: 5.68486	Sterimol/L: 18.403

Surface and Volume Properties
Accessible surface: 571.982	Positive charged surface: 392.126	Negative charged surface: 179.856	Volume: 304.625
Hydrophobic surface: 503.933	Hydrophilic surface: 68.049

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02844762
PUBCHEM-ZINC02003154