MMsINC Database Search


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MMsINC code: MMs03240682

Type: Neutral
Formula: C₁₅H₁₇NO

SMILES:

Oc1ccc(cc1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C15H17NO/c1-16(2)14-7-3-12(4-8-14)11-13-5-9-15(17)10-6-13/h3-10,17H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4498 kcal/mol

Physical Properties
Molecular Weight: 227.307 g/mol	logS: -3.06672	SlogP: 3.04897	Reactive groups: 0

Topological Properties
Globularity: 0.114638	Sterimol/B1: 2.35576	Sterimol/B2: 3.24394	Sterimol/B3: 4.72051
Sterimol/B4: 4.89115	Sterimol/L: 14.5096

Surface and Volume Properties
Accessible surface: 472.746	Positive charged surface: 335.203	Negative charged surface: 137.543	Volume: 243.875
Hydrophobic surface: 420.47	Hydrophilic surface: 52.276

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

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Ions/Tautomers related molecules: no related molecules available.